216416 -OEChem-04192403282D 62 66 0 1 0 0 0 0 0999 V2000 5.4641 -1.4161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 4.6080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.4161 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.0839 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 2.5839 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 4.0839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.0839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.5839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.0839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.5839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.5839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2241 2.5492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3007 -4.4106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1097 -3.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2788 -4.6186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7788 -3.7525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2241 4.6186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.0839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.0839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.9161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.0839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.5839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 3.0631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 4.1047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.9161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.0839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.0839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.4161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.5839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.4639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.2739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 4.6665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 3.9762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 5.0588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 5.0588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2169 1.9293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6807 -4.4106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2359 -5.0272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6113 -2.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7997 -2.4724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0872 -5.2082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8452 -4.8707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2804 -4.1170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1937 -3.2918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2169 5.2385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.3939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 1.3939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 -2.8084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 -3.4987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.7039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.2739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6659 2.7510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 -2.0238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 -1.3335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.2261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -0.2261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.8939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.4639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.2739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5323 4.3001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 1 28 1 0 0 0 0 2 24 1 0 0 0 0 2 62 1 0 0 0 0 3 13 1 0 0 0 0 3 14 1 0 0 0 0 3 20 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 11 1 1 0 0 0 4 32 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 1 0 0 0 5 33 1 0 0 0 0 6 8 1 0 0 0 0 6 34 1 0 0 0 0 6 35 1 0 0 0 0 7 9 2 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 9 17 1 0 0 0 0 10 18 2 0 0 0 0 10 19 1 0 0 0 0 11 21 2 0 0 0 0 11 22 1 0 0 0 0 12 23 2 0 0 0 0 12 38 1 0 0 0 0 13 15 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 16 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 16 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 24 2 0 0 0 0 17 47 1 0 0 0 0 18 26 1 0 0 0 0 18 48 1 0 0 0 0 19 27 2 0 0 0 0 19 49 1 0 0 0 0 20 25 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 21 29 1 0 0 0 0 21 52 1 0 0 0 0 22 30 2 0 0 0 0 22 53 1 0 0 0 0 23 24 1 0 0 0 0 23 54 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 26 28 2 0 0 0 0 26 57 1 0 0 0 0 27 28 1 0 0 0 0 27 58 1 0 0 0 0 29 31 2 0 0 0 0 29 59 1 0 0 0 0 30 31 1 0 0 0 0 30 60 1 0 0 0 0 31 61 1 0 0 0 0 M END > 216416 > 1 > 533 > 3 > 1 > 6 > AAADceB6MAAAAAAAAAAAAAAAAAAAAWAAAAAwYMGAAAAAAADBUAAAHgAACAAADQThmAYwBoMABgCAAiBCAAACCAAgIAAIiAAOCIgOJiKGsRqHeCCkwBGYuAeAwPAOoAABAAAQAADAAAYAACAAAAAAAAAAAA== > (1R,2S)-2-phenyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]tetralin-6-ol > (5R,6S)-6-phenyl-5-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol > (5R,6S)-6-phenyl-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol > (5R,6S)-6-phenyl-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol > (5R,6S)-6-phenyl-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol > (1R,2S)-2-phenyl-1-[4-(2-pyrrolidinoethoxy)phenyl]tetralin-6-ol > InChI=1S/C28H31NO2/c30-24-11-15-27-23(20-24)10-14-26(21-6-2-1-3-7-21)28(27)22-8-12-25(13-9-22)31-19-18-29-16-4-5-17-29/h1-3,6-9,11-13,15,20,26,28,30H,4-5,10,14,16-19H2/t26-,28+/m1/s1 > GXESHMAMLJKROZ-IAPPQJPRSA-N > 6.1 > 413.235479232 > C28H31NO2 > 413.5 > C1CCN(C1)CCOC2=CC=C(C=C2)C3C(CCC4=C3C=CC(=C4)O)C5=CC=CC=C5 > C1CCN(C1)CCOC2=CC=C(C=C2)[C@H]3[C@H](CCC4=C3C=CC(=C4)O)C5=CC=CC=C5 > 32.7 > 413.235479232 > 0 > 31 > 2 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 18 8 10 19 8 11 21 8 11 22 8 12 23 8 17 24 8 18 26 8 19 27 8 21 29 8 22 30 8 23 24 8 26 28 8 27 28 8 29 31 8 30 31 8 4 11 5 5 10 5 7 12 8 7 9 8 9 17 8 $$$$