[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 2,4,6-trimethylbenzoate

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 2,4,6-trimethylbenzoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 2,4,6-trimethylbenzoate CAS Name: 2,4,6-trimethylbenzoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 2,4,6-trimethylbenzoate Traditional Name: 2,4,6-trimethylbenzoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C21H23NO3 MolecularWeight: 337.41222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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