1-[1-[2-[(3R)-3-(3,4-dichlorophenyl)-1-(3,4,5-trimethoxyphenyl)carbonyl-pyrrolidin-3-yl]ethyl]-4-phenyl-piperidin-4-yl]carbonylpiperidine-4-carboxylic acid hydrochloride

Systemtic Name: 1-[1-[2-[(3R)-3-(3,4-dichlorophenyl)-1-(3,4,5-trimethoxyphenyl)carbonyl-pyrrolidin-3-yl]ethyl]-4-phenyl-piperidin-4-yl]carbonylpiperidine-4-carboxylic acid hydrochloride Openeye Name: 1-[1-[2-[(3R)-3-(3,4-dichlorophenyl)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]ethyl]-4-phenyl-piperidine-4-carbonyl]piperidine-4-carboxylic acid hydrochloride CAS Name: 1-[[1-[2-[(3R)-3-(3,4-dichlorophenyl)-1-[oxo-(3,4,5-trimethoxyphenyl)methyl]-3-pyrrolidinyl]ethyl]-4-phenyl-4-piperidinyl]-oxomethyl]-4-piperidinecarboxylic acid hydrochloride IUPAC Name: 1-[1-[2-[(3R)-3-(3,4-dichlorophenyl)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]ethyl]-4-phenylpiperidine-4-carbonyl]piperidine-4-carboxylic acid hydrochloride Traditional Name: 1-[1-[2-[(3R)-3-(3,4-dichlorophenyl)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]ethyl]-4-phenyl-isonipecotoyl]isonipecotic acid hydrochloride Formula: C40H48Cl3N3O7 MolecularWeight: 789.18402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCC(C2)(CCN3CCC(CC3)(C4=CC=CC=C4)C(=O)N5CCC(CC5)C(=O)O)C6=CC(=C(C=C6)Cl)Cl.Cl

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N2CC[C@](C2)(CCN3CCC(CC3)(C4=CC=CC=C4)C(=O)N5CCC(CC5)C(=O)O)C6=CC(=C(C=C6)Cl)Cl.Cl

InChI

InChI=1S/C40H47Cl2N3O7.ClH/c1-50-33-23-28(24-34(51-2)35(33)52-3)36(46)45-22-14-39(26-45,30-9-10-31(41)32(42)25-30)13-19-43-20-15-40(16-21-43,29-7-5-4-6-8-29)38(49)44-17-11-27(12-18-44)37(47)48;/h4-10,23-25,27H,11-22,26H2,1-3H3,(H,47,48);1H/t39-;/m0./s1