methyl 4-[[6,7-dimethoxy-2-(4-pyrrolidin-1-ylsulfonylphenyl)carbonyl-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate

Systemtic Name: methyl 4-[[6,7-dimethoxy-2-(4-pyrrolidin-1-ylsulfonylphenyl)carbonyl-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate Openeye Name: methyl 4-[[6,7-dimethoxy-2-(4-pyrrolidin-1-ylsulfonylbenzoyl)-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate CAS Name: 4-[[6,7-dimethoxy-2-[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[[6,7-dimethoxy-2-(4-pyrrolidin-1-ylsulfonylbenzoyl)-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate Traditional Name: 4-[[6,7-dimethoxy-2-(4-pyrrolidinosulfonylbenzoyl)-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoic acid methyl ester Formula: C31H34N2O8S MolecularWeight: 594.67526

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)COC5=CC=C(C=C5)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)COC5=CC=C(C=C5)C(=O)OC)OC

InChI

InChI=1S/C31H34N2O8S/c1-38-28-18-23-14-17-33(30(34)21-8-12-25(13-9-21)42(36,37)32-15-4-5-16-32)27(26(23)19-29(28)39-2)20-41-24-10-6-22(7-11-24)31(35)40-3/h6-13,18-19,27H,4-5,14-17,20H2,1-3H3