[2-[(3-methylphenyl)-(phenylmethyl)amino]-2-oxidanylidene-ethyl] pyridine-4-carboxylate

Systemtic Name: [2-[(3-methylphenyl)-(phenylmethyl)amino]-2-oxidanylidene-ethyl] pyridine-4-carboxylate Openeye Name: [2-(N-benzyl-3-methyl-anilino)-2-oxo-ethyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [2-(3-methyl-N-(phenylmethyl)anilino)-2-oxoethyl] ester IUPAC Name: [2-(N-benzyl-3-methylanilino)-2-oxoethyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [2-(N-benzyl-3-methyl-anilino)-2-keto-ethyl] ester Formula: C22H20N2O3 MolecularWeight: 360.4058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(CC2=CC=CC=C2)C(=O)COC(=O)C3=CC=NC=C3

Isomeric SMILES

CC1=CC(=CC=C1)N(CC2=CC=CC=C2)C(=O)COC(=O)C3=CC=NC=C3

InChI

InChI=1S/C22H20N2O3/c1-17-6-5-9-20(14-17)24(15-18-7-3-2-4-8-18)21(25)16-27-22(26)19-10-12-23-13-11-19/h2-14H,15-16H2,1H3