[2-[2-(2-methylphenyl)ethylamino]-2-oxidanylidene-ethyl] pyridine-4-carboxylate

Systemtic Name: [2-[2-(2-methylphenyl)ethylamino]-2-oxidanylidene-ethyl] pyridine-4-carboxylate Openeye Name: [2-[2-(o-tolyl)ethylamino]-2-oxo-ethyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [2-keto-2-[2-(o-tolyl)ethylamino]ethyl] ester Formula: C17H18N2O3 MolecularWeight: 298.33642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCNC(=O)COC(=O)C2=CC=NC=C2

Isomeric SMILES

CC1=CC=CC=C1CCNC(=O)COC(=O)C2=CC=NC=C2

InChI

InChI=1S/C17H18N2O3/c1-13-4-2-3-5-14(13)8-11-19-16(20)12-22-17(21)15-6-9-18-10-7-15/h2-7,9-10H,8,11-12H2,1H3,(H,19,20)