54677709 -OEChem-03292406372D 50 52 0 1 0 0 0 0 0999 V2000 8.7634 2.8907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5878 2.8907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1788 1.4908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6436 -0.1565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8666 1.1307 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 1.8509 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.5090 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6756 0.5429 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.9155 0.8216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4846 1.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6756 -0.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1724 1.4908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1756 2.0817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1756 2.0817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2213 1.1818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5416 -0.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8095 -0.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4356 0.8216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5416 -1.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8095 -1.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6756 -2.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 2.8454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 1.6430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6756 -3.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1298 1.1818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 3.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8730 1.8509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2280 0.2614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4269 0.4399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2066 0.2742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6609 1.8725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8813 2.0382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7327 0.8000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5124 0.6343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0785 -0.6471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2726 -0.6471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0785 -2.2671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2726 -2.2671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5112 3.4571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1196 3.1554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2478 1.0766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0556 -3.4571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6756 -4.0771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2956 -3.4571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8388 0.6343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6184 0.8000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5402 3.8586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2878 1.3901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3337 2.2657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4581 2.3116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 39 1 0 0 0 0 2 13 2 0 0 0 0 3 18 1 0 0 0 0 3 25 1 0 0 0 0 4 18 2 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 13 1 0 0 0 0 6 15 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 7 23 2 0 0 0 0 7 26 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 28 1 0 0 0 0 9 12 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 14 2 0 0 0 0 10 18 1 0 0 0 0 11 16 2 0 0 0 0 11 17 1 0 0 0 0 12 15 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 19 1 0 0 0 0 16 35 1 0 0 0 0 17 20 2 0 0 0 0 17 36 1 0 0 0 0 19 21 2 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 21 24 1 0 0 0 0 22 26 2 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 25 27 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 26 47 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 M END > 54677709 > 1 > 584 > 5 > 1 > 8 > AAADceB7OAAAAAAAAAAAAAAAAAAAAWIAAAAwAAAAAAAAAAABwAAAHgAACAAADCzhmgY/mJcMFgCoAjH3fAKCgC0xMqAJyAFYNMiKbDqA+RGWMAhuhgKYqSeYyOCOQAAAAAAAAACAAAAAAAAAAAAAAAAAAA== > ethyl 4-hydroxy-1-(3-imidazol-1-ylpropyl)-5-oxo-2-(p-tolyl)-2H-pyrrole-3-carboxylate > 4-hydroxy-1-[3-(1-imidazolyl)propyl]-2-(4-methylphenyl)-5-oxo-2H-pyrrole-3-carboxylic acid ethyl ester > ethyl 4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-(4-methylphenyl)-5-oxo-2H-pyrrole-3-carboxylate > ethyl 4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-(4-methylphenyl)-5-oxo-2H-pyrrole-3-carboxylate > ethyl 1-(3-imidazol-1-ylpropyl)-2-(4-methylphenyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrole-3-carboxylate > 4-hydroxy-1-(3-imidazol-1-ylpropyl)-5-keto-2-(p-tolyl)-3-pyrroline-3-carboxylic acid ethyl ester > InChI=1S/C20H23N3O4/c1-3-27-20(26)16-17(15-7-5-14(2)6-8-15)23(19(25)18(16)24)11-4-10-22-12-9-21-13-22/h5-9,12-13,17,24H,3-4,10-11H2,1-2H3 > PEMCDGXEHACHGJ-UHFFFAOYSA-N > 2.3 > 369.16885622 > C20H23N3O4 > 369.4 > CCOC(=O)C1=C(C(=O)N(C1C2=CC=C(C=C2)C)CCCN3C=CN=C3)O > CCOC(=O)C1=C(C(=O)N(C1C2=CC=C(C=C2)C)CCCN3C=CN=C3)O > 84.7 > 369.16885622 > 0 > 27 > 0 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 16 8 11 17 8 16 19 8 17 20 8 19 21 8 20 21 8 22 26 8 6 22 8 6 23 8 7 23 8 7 26 8 8 11 3 $$$$