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

Systemtic Name: methyl 2-[(1S)-6,7-dimethoxy-2-(3-methylphenyl)carbonyl-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate Openeye Name: methyl 2-[(1S)-6,7-dimethoxy-2-(3-methylbenzoyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetate CAS Name: 2-[(1S)-6,7-dimethoxy-2-[(3-methylphenyl)-oxomethyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid methyl ester IUPAC Name: methyl 2-[(1S)-6,7-dimethoxy-2-(3-methylbenzoyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetate Traditional Name: 2-[(1S)-6,7-dimethoxy-2-m-toluoyl-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid methyl ester Formula: C22H25NO5 MolecularWeight: 383.4376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CCC3=CC(=C(C=C3C2CC(=O)OC)OC)OC

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCC3=CC(=C(C=C3[C@@H]2CC(=O)OC)OC)OC

InChI

InChI=1S/C22H25NO5/c1-14-6-5-7-16(10-14)22(25)23-9-8-15-11-19(26-2)20(27-3)12-17(15)18(23)13-21(24)28-4/h5-7,10-12,18H,8-9,13H2,1-4H3/t18-/m0/s1