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

Systemtic Name: [1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl] 2,4-dimethylbenzoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-methyl-2-oxo-ethyl] 2,4-dimethylbenzoate CAS Name: 2,4-dimethylbenzoic acid [1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] 2,4-dimethylbenzoate Traditional Name: 2,4-dimethylbenzoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-methyl-ethyl] ester Formula: C21H23NO3 MolecularWeight: 337.41222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO3/c1-14-8-9-19(15(2)12-14)21(24)25-16(3)20(23)22-11-10-17-6-4-5-7-18(17)13-22/h4-9,12,16H,10-11,13H2,1-3H3