methyl 2-[(1S)-6,7-dimethoxy-2-(4-methoxyphenyl)carbonyl-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate

Systemtic Name: methyl 2-[(1S)-6,7-dimethoxy-2-(4-methoxyphenyl)carbonyl-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate Openeye Name: methyl 2-[(1S)-6,7-dimethoxy-2-(4-methoxybenzoyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetate CAS Name: 2-[(1S)-6,7-dimethoxy-2-[(4-methoxyphenyl)-oxomethyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid methyl ester IUPAC Name: methyl 2-[(1S)-6,7-dimethoxy-2-(4-methoxybenzoyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetate Traditional Name: 2-[(1S)-6,7-dimethoxy-2-p-anisoyl-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid methyl ester Formula: C22H25NO6 MolecularWeight: 399.437

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N2CCC3=CC(=C(C=C3C2CC(=O)OC)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N2CCC3=CC(=C(C=C3[C@@H]2CC(=O)OC)OC)OC

InChI

InChI=1S/C22H25NO6/c1-26-16-7-5-14(6-8-16)22(25)23-10-9-15-11-19(27-2)20(28-3)12-17(15)18(23)13-21(24)29-4/h5-8,11-12,18H,9-10,13H2,1-4H3/t18-/m0/s1