Mol:
138452-21-8.mol by:chem960.com
ChemDraw08031019472D
…………
0 0 0 0 0 0 0 0
14.5696 -1.0143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7172 -5.9569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6106 -5.3114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4488 -5.9200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4672 -7.2479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5737 -7.9118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7356 -7.3032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3053 -7.9118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4570 -8.9446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1721 -8.9446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1619 -7.2479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -7.9118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1619 -5.9200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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M END
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盐酸非索非那定 InChIKey: RRJFVPUCXDGFJB-UHFFFAOYSA-N
盐酸非索非那定 Inchi: InChI=1S/C32H39NO4.ClH/c1-31(2,30(35)36)25-17-15-24(16-18-25)29(34)14-9-21-33-22-19-28(20-23-33)32(37,26-10-5-3-6-11-26)27-12-7-4-8-13-27;/h3-8,10-13,15-18,28-29,34,37H,9,14,19-23H2,1-2H3,(H,35,36);1H
盐酸非索非那定 SMILES: Cl.OC(C1C=CC(C(C(=O)O)(C)C)=CC=1)CCCN1CCC(C(C2C=CC=CC=2)(O)C2C=CC=CC=2)CC1