[2-(2,5-dimethoxyphenyl)-2-oxidanylidene-ethyl] 2-(2-chlorophenyl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: [2-(2,5-dimethoxyphenyl)-2-oxidanylidene-ethyl] 2-(2-chlorophenyl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: [2-(2,5-dimethoxyphenyl)-2-oxo-ethyl] 2-(2-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-[(2-chlorophenyl)-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid [2-(2,5-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(2-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-(2-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid [2-(2,5-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C27H24ClNO6 MolecularWeight: 493.93556

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C(=O)COC(=O)C2CC3=CC=CC=C3CN2C(=O)C4=CC=CC=C4Cl

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C(=O)COC(=O)C2CC3=CC=CC=C3CN2C(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C27H24ClNO6/c1-33-19-11-12-25(34-2)21(14-19)24(30)16-35-27(32)23-13-17-7-3-4-8-18(17)15-29(23)26(31)20-9-5-6-10-22(20)28/h3-12,14,23H,13,15-16H2,1-2H3