[2-[1-(2-methylphenyl)ethylamino]-2-oxidanylidene-ethyl] 3-cyanobenzoate

Systemtic Name: [2-[1-(2-methylphenyl)ethylamino]-2-oxidanylidene-ethyl] 3-cyanobenzoate Openeye Name: [2-[1-(o-tolyl)ethylamino]-2-oxo-ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [2-keto-2-[1-(o-tolyl)ethylamino]ethyl] ester Formula: C19H18N2O3 MolecularWeight: 322.35782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C)NC(=O)COC(=O)C2=CC=CC(=C2)C#N

Isomeric SMILES

CC1=CC=CC=C1C(C)NC(=O)COC(=O)C2=CC=CC(=C2)C#N

InChI

InChI=1S/C19H18N2O3/c1-13-6-3-4-9-17(13)14(2)21-18(22)12-24-19(23)16-8-5-7-15(10-16)11-20/h3-10,14H,12H2,1-2H3,(H,21,22)