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

Systemtic Name: [2-oxidanylidene-2-[[2-(phenylmethyl)phenyl]amino]ethyl] pyridine-4-carboxylate Openeye Name: [2-(2-benzylanilino)-2-oxo-ethyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [2-oxo-2-[2-(phenylmethyl)anilino]ethyl] ester IUPAC Name: [2-(2-benzylanilino)-2-oxoethyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [2-(2-benzylanilino)-2-keto-ethyl] ester Formula: C21H18N2O3 MolecularWeight: 346.37922

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC=CC=C2NC(=O)COC(=O)C3=CC=NC=C3

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC=CC=C2NC(=O)COC(=O)C3=CC=NC=C3

InChI

InChI=1S/C21H18N2O3/c24-20(15-26-21(25)17-10-12-22-13-11-17)23-19-9-5-4-8-18(19)14-16-6-2-1-3-7-16/h1-13H,14-15H2,(H,23,24)