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

Systemtic Name: ethyl 4-[[6,7-dimethoxy-2-(4-pyrrolidin-1-ylsulfonylphenyl)carbonyl-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C32H36N2O8S MolecularWeight: 608.70184

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OCC2C3=CC(=C(C=C3CCN2C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCC5)OC)OC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OCC2C3=CC(=C(C=C3CCN2C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCC5)OC)OC

InChI

InChI=1S/C32H36N2O8S/c1-4-41-32(36)23-7-11-25(12-8-23)42-21-28-27-20-30(40-3)29(39-2)19-24(27)15-18-34(28)31(35)22-9-13-26(14-10-22)43(37,38)33-16-5-6-17-33/h7-14,19-20,28H,4-6,15-18,21H2,1-3H3