[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 4-oxidanylidene-4-(4-phenylphenyl)butanoate

Systemtic Name: [2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 4-oxidanylidene-4-(4-phenylphenyl)butanoate Openeye Name: [2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 4-oxo-4-(4-phenylphenyl)butanoate CAS Name: 4-oxo-4-(4-phenylphenyl)butanoic acid [2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 4-oxo-4-(4-phenylphenyl)butanoate Traditional Name: 4-keto-4-(4-phenylphenyl)butyric acid [2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C29H29NO6 MolecularWeight: 487.54366

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)COC(=O)CCC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)COC(=O)CCC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)OC

InChI

InChI=1S/C29H29NO6/c1-34-26-16-23-14-15-30(18-24(23)17-27(26)35-2)28(32)19-36-29(33)13-12-25(31)22-10-8-21(9-11-22)20-6-4-3-5-7-20/h3-11,16-17H,12-15,18-19H2,1-2H3