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

Systemtic Name: [(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl] 2,3-dimethylbenzoate Openeye Name: [(1R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-methyl-2-oxo-ethyl] 2,3-dimethylbenzoate CAS Name: 2,3-dimethylbenzoic acid [(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] 2,3-dimethylbenzoate Traditional Name: 2,3-dimethylbenzoic acid [(1R)-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=CC(=C1C)C(=O)OC(C)C(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CC1=CC=CC(=C1C)C(=O)O[C@H](C)C(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C21H23NO3/c1-14-7-6-10-19(15(14)2)21(24)25-16(3)20(23)22-12-11-17-8-4-5-9-18(17)13-22/h4-10,16H,11-13H2,1-3H3/t16-/m1/s1