[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 2,3-dimethylbenzoate

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 2,3-dimethylbenzoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 2,3-dimethylbenzoate CAS Name: 2,3-dimethylbenzoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 2,3-dimethylbenzoate Traditional Name: 2,3-dimethylbenzoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C20H21NO3 MolecularWeight: 323.38564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1C)C(=O)OCC(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CC1=CC=CC(=C1C)C(=O)OCC(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C20H21NO3/c1-14-6-5-9-18(15(14)2)20(23)24-13-19(22)21-11-10-16-7-3-4-8-17(16)12-21/h3-9H,10-13H2,1-2H3