(2-ethanoyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl) 4-methylbenzoate

Systemtic Name: (2-ethanoyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl) 4-methylbenzoate Openeye Name: (2-acetyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl) 4-methylbenzoate CAS Name: 4-methylbenzoic acid (2-acetyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl) ester IUPAC Name: (2-acetyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl) 4-methylbenzoate Traditional Name: 4-methylbenzoic acid (2-acetyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl) ester Formula: C21H23NO5 MolecularWeight: 369.41102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2C3=CC(=C(C=C3CCN2C(=O)C)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2C3=CC(=C(C=C3CCN2C(=O)C)OC)OC

InChI

InChI=1S/C21H23NO5/c1-13-5-7-15(8-6-13)21(24)27-20-17-12-19(26-4)18(25-3)11-16(17)9-10-22(20)14(2)23/h5-8,11-12,20H,9-10H2,1-4H3