methyl 2-[2-[(4-benzamido-2,5-dimethoxy-phenyl)amino]-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinoline-8-carboxylate

Systemtic Name: methyl 2-[2-[(4-benzamido-2,5-dimethoxy-phenyl)amino]-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinoline-8-carboxylate Openeye Name: methyl 2-[2-(4-benzamido-2,5-dimethoxy-anilino)-2-oxo-ethyl]-3,4-dihydro-1H-isoquinoline-8-carboxylate CAS Name: 2-[2-(4-benzamido-2,5-dimethoxyanilino)-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-8-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-(4-benzamido-2,5-dimethoxyanilino)-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-8-carboxylate Traditional Name: 2-[2-(4-benzamido-2,5-dimethoxy-anilino)-2-keto-ethyl]-3,4-dihydro-1H-isoquinoline-8-carboxylic acid methyl ester Formula: C28H29N3O6 MolecularWeight: 503.54636

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)OC)NC(=O)CN3CCC4=CC=CC(=C4C3)C(=O)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)OC)NC(=O)CN3CCC4=CC=CC(=C4C3)C(=O)OC

InChI

InChI=1S/C28H29N3O6/c1-35-24-15-23(30-27(33)19-8-5-4-6-9-19)25(36-2)14-22(24)29-26(32)17-31-13-12-18-10-7-11-20(21(18)16-31)28(34)37-3/h4-11,14-15H,12-13,16-17H2,1-3H3,(H,29,32)(H,30,33)