[2-oxidanylidene-2-[[2-(phenylmethyl)phenyl]amino]ethyl] 2-azanylpyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[2-(phenylmethyl)phenyl]amino]ethyl] 2-azanylpyridine-3-carboxylate Openeye Name: [2-(2-benzylanilino)-2-oxo-ethyl] 2-aminopyridine-3-carboxylate CAS Name: 2-amino-3-pyridinecarboxylic acid [2-oxo-2-[2-(phenylmethyl)anilino]ethyl] ester IUPAC Name: [2-(2-benzylanilino)-2-oxoethyl] 2-aminopyridine-3-carboxylate Traditional Name: 2-aminonicotinic acid [2-(2-benzylanilino)-2-keto-ethyl] ester Formula: C21H19N3O3 MolecularWeight: 361.39386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O3/c22-20-17(10-6-12-23-20)21(26)27-14-19(25)24-18-11-5-4-9-16(18)13-15-7-2-1-3-8-15/h1-12H,13-14H2,(H2,22,23)(H,24,25)