methyl 2-(4-aminophenyl)-6-methoxy-1-oxidanylidene-7-(piperidin-4-ylmethoxy)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate

Systemtic Name: methyl 2-(4-aminophenyl)-6-methoxy-1-oxidanylidene-7-(piperidin-4-ylmethoxy)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Openeye Name: methyl 2-(4-aminophenyl)-6-methoxy-1-oxo-7-(4-piperidylmethoxy)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate CAS Name: 2-(4-aminophenyl)-6-methoxy-1-oxo-7-(4-piperidinylmethoxy)-4-(3,4,5-trimethoxyphenyl)-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(4-aminophenyl)-6-methoxy-1-oxo-7-(piperidin-4-ylmethoxy)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Traditional Name: 2-(4-aminophenyl)-1-keto-6-methoxy-7-(4-piperidylmethoxy)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylic acid methyl ester Formula: C33H37N3O8 MolecularWeight: 603.66218

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=C(N(C(=O)C3=CC(=C(C=C32)OC)OCC4CCNCC4)C5=CC=C(C=C5)N)C(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=C(N(C(=O)C3=CC(=C(C=C32)OC)OCC4CCNCC4)C5=CC=C(C=C5)N)C(=O)OC

InChI

InChI=1S/C33H37N3O8/c1-39-25-16-23-24(17-26(25)44-18-19-10-12-35-13-11-19)32(37)36(22-8-6-21(34)7-9-22)30(33(38)43-5)29(23)20-14-27(40-2)31(42-4)28(15-20)41-3/h6-9,14-17,19,35H,10-13,18,34H2,1-5H3