methyl 4-[[2-[1-[2-[3-phenyl-1-(3,4,5-trimethoxyphenyl)carbonyl-pyrrolidin-3-yl]ethyl]piperidin-4-yl]carbonylbenzimidazol-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[2-[1-[2-[3-phenyl-1-(3,4,5-trimethoxyphenyl)carbonyl-pyrrolidin-3-yl]ethyl]piperidin-4-yl]carbonylbenzimidazol-1-yl]methyl]benzoate Openeye Name: methyl 4-[[2-[1-[2-[3-phenyl-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]ethyl]piperidine-4-carbonyl]benzimidazol-1-yl]methyl]benzoate CAS Name: 4-[[2-[oxo-[1-[2-[1-[oxo-(3,4,5-trimethoxyphenyl)methyl]-3-phenyl-3-pyrrolidinyl]ethyl]-4-piperidinyl]methyl]-1-benzimidazolyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[1-[2-[3-phenyl-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]ethyl]piperidine-4-carbonyl]benzimidazol-1-yl]methyl]benzoate Traditional Name: 4-[[2-[1-[2-[3-phenyl-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]ethyl]isonipecotoyl]benzimidazol-1-yl]methyl]benzoic acid methyl ester Formula: C44H48N4O7 MolecularWeight: 744.87452

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCC(C2)(CCN3CCC(CC3)C(=O)C4=NC5=CC=CC=C5N4CC6=CC=C(C=C6)C(=O)OC)C7=CC=CC=C7

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCC(C2)(CCN3CCC(CC3)C(=O)C4=NC5=CC=CC=C5N4CC6=CC=C(C=C6)C(=O)OC)C7=CC=CC=C7

InChI

InChI=1S/C44H48N4O7/c1-52-37-26-33(27-38(53-2)40(37)54-3)42(50)47-25-21-44(29-47,34-10-6-5-7-11-34)20-24-46-22-18-31(19-23-46)39(49)41-45-35-12-8-9-13-36(35)48(41)28-30-14-16-32(17-15-30)43(51)55-4/h5-17,26-27,31H,18-25,28-29H2,1-4H3