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

Systemtic Name: methyl 4-[[6,7-dimethoxy-2-(4-morpholin-4-ylsulfonylphenyl)carbonyl-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate Openeye Name: methyl 4-[[6,7-dimethoxy-2-(4-morpholinosulfonylbenzoyl)-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate CAS Name: 4-[[6,7-dimethoxy-2-[[4-(4-morpholinylsulfonyl)phenyl]-oxomethyl]-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[[6,7-dimethoxy-2-(4-morpholin-4-ylsulfonylbenzoyl)-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate Traditional Name: 4-[[6,7-dimethoxy-2-(4-morpholinosulfonylbenzoyl)-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoic acid methyl ester Formula: C31H34N2O9S MolecularWeight: 610.67466

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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)N4CCOCC4)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)N4CCOCC4)COC5=CC=C(C=C5)C(=O)OC)OC

InChI

InChI=1S/C31H34N2O9S/c1-38-28-18-23-12-13-33(30(34)21-6-10-25(11-7-21)43(36,37)32-14-16-41-17-15-32)27(26(23)19-29(28)39-2)20-42-24-8-4-22(5-9-24)31(35)40-3/h4-11,18-19,27H,12-17,20H2,1-3H3