[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 3,5-dimethylbenzoate

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 3,5-dimethylbenzoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 3,5-dimethylbenzoate CAS Name: 3,5-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] 3,5-dimethylbenzoate Traditional Name: 3,5-dimethylbenzoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C20H21NO3 MolecularWeight: 323.38564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)OCC(=O)N2CCC3=CC=CC=C3C2)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)OCC(=O)N2CCC3=CC=CC=C3C2)C

InChI

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