[1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 2-pyridin-3-ylquinoline-4-carboxylate

Systemtic Name: [1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 2-pyridin-3-ylquinoline-4-carboxylate Openeye Name: [2-(benzylamino)-1-methyl-2-oxo-ethyl] 2-(3-pyridyl)quinoline-4-carboxylate CAS Name: 2-(3-pyridinyl)-4-quinolinecarboxylic acid [1-oxo-1-[(phenylmethyl)amino]propan-2-yl] ester IUPAC Name: [1-(benzylamino)-1-oxopropan-2-yl] 2-pyridin-3-ylquinoline-4-carboxylate Traditional Name: 2-(3-pyridyl)cinchoninic acid [2-(benzylamino)-2-keto-1-methyl-ethyl] ester Formula: C25H21N3O3 MolecularWeight: 411.45254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CN=CC=C4

Isomeric SMILES

CC(C(=O)NCC1=CC=CC=C1)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CN=CC=C4

InChI

InChI=1S/C25H21N3O3/c1-17(24(29)27-15-18-8-3-2-4-9-18)31-25(30)21-14-23(19-10-7-13-26-16-19)28-22-12-6-5-11-20(21)22/h2-14,16-17H,15H2,1H3,(H,27,29)