20601788 -OEChem-05122417452D 65 68 0 1 0 0 0 0 0999 V2000 9.4651 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -7.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.2690 -7.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -6.5000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 12.0632 5.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.1972 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 5.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.0632 6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6002 5.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7987 4.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5957 4.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 5.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6738 6.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2753 7.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1191 7.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7206 6.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5957 7.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7987 7.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6192 4.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4662 4.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2392 5.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7890 -0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3905 -1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 17 1 0 0 0 0 2 22 1 0 0 0 0 2 23 1 0 0 0 0 3 30 2 0 0 0 0 4 37 1 0 0 0 0 4 65 1 0 0 0 0 5 37 2 0 0 0 0 6 9 1 0 0 0 0 7 9 2 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 8 61 1 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 10 16 1 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 14 1 0 0 0 0 12 41 1 0 0 0 0 13 15 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 15 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 18 51 1 0 0 0 0 19 21 2 0 0 0 0 19 52 1 0 0 0 0 20 22 2 0 0 0 0 20 53 1 0 0 0 0 21 22 1 0 0 0 0 21 54 1 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 24 27 1 0 0 0 0 24 28 2 0 0 0 0 24 29 1 0 0 0 0 25 28 1 0 0 0 0 25 57 1 0 0 0 0 26 29 2 0 0 0 0 26 58 1 0 0 0 0 27 30 1 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 28 59 1 0 0 0 0 29 60 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 32 34 1 0 0 0 0 32 37 1 0 0 0 0 33 36 2 0 0 0 0 33 62 1 0 0 0 0 34 35 2 0 0 0 0 34 63 1 0 0 0 0 35 36 1 0 0 0 0 36 64 1 0 0 0 0 M CHG 2 6 -1 9 1 M END > 20601788 > 1 > 771 > 7 > 2 > 8 > AAADceB7OAAAAAAAAAAAAAAAAAAAAAAAAAAwYMGAAAAAAAABUAAAHgAUCAAADRyhmAIyzoLQRgCJAiXSWwCCCAAlIgAoiAEGbMoMJjrEtZuGeajm1BHI+cf8yLCOIQCAQAACAABCAQKAAAQAAAAAAAAAAA== > 2-[[2-[4-[4-(3-methylcyclohexoxy)phenoxy]phenyl]acetyl]amino]-5-nitro-benzoic acid > 2-[[2-[4-[4-(3-methylcyclohexyl)oxyphenoxy]phenyl]-1-oxoethyl]amino]-5-nitrobenzoic acid > 2-[[2-[4-[4-(3-methylcyclohexyl)oxyphenoxy]phenyl]acetyl]amino]-5-nitrobenzoic acid > 2-[[2-[4-[4-(3-methylcyclohexyl)oxyphenoxy]phenyl]acetyl]amino]-5-nitrobenzoic acid > 2-[2-[4-[4-(3-methylcyclohexyl)oxyphenoxy]phenyl]ethanoylamino]-5-nitro-benzoic acid > 2-[[2-[4-[4-(3-methylcyclohexoxy)phenoxy]phenyl]acetyl]amino]-5-nitro-benzoic acid > InChI=1S/C28H28N2O7/c1-18-3-2-4-24(15-18)37-23-12-10-22(11-13-23)36-21-8-5-19(6-9-21)16-27(31)29-26-14-7-20(30(34)35)17-25(26)28(32)33/h5-14,17-18,24H,2-4,15-16H2,1H3,(H,29,31)(H,32,33) > QTEVHRBQOHQXEE-UHFFFAOYSA-N > 6.3 > 504.18965124 > C28H28N2O7 > 504.5 > CC1CCCC(C1)OC2=CC=C(C=C2)OC3=CC=C(C=C3)CC(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])C(=O)O > CC1CCCC(C1)OC2=CC=C(C=C2)OC3=CC=C(C=C3)CC(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])C(=O)O > 131 > 504.18965124 > 0 > 37 > 0 > 2 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 12 1 3 10 16 3 17 18 8 17 19 8 18 20 8 19 21 8 20 22 8 21 22 8 23 25 8 23 26 8 24 28 8 24 29 8 25 28 8 26 29 8 31 32 8 31 33 8 32 34 8 33 36 8 34 35 8 35 36 8 $$$$