[1-oxidanylidene-1-(4-phenylbutan-2-ylamino)propan-2-yl] 2-pyridin-2-ylquinoline-4-carboxylate

Systemtic Name: [1-oxidanylidene-1-(4-phenylbutan-2-ylamino)propan-2-yl] 2-pyridin-2-ylquinoline-4-carboxylate Openeye Name: [1-methyl-2-[(1-methyl-3-phenyl-propyl)amino]-2-oxo-ethyl] 2-(2-pyridyl)quinoline-4-carboxylate CAS Name: 2-(2-pyridinyl)-4-quinolinecarboxylic acid [1-oxo-1-(4-phenylbutan-2-ylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(4-phenylbutan-2-ylamino)propan-2-yl] 2-pyridin-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-pyridyl)cinchoninic acid [2-keto-1-methyl-2-[(1-methyl-3-phenyl-propyl)amino]ethyl] ester Formula: C28H27N3O3 MolecularWeight: 453.53228

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)C(C)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=N4

Isomeric SMILES

CC(CCC1=CC=CC=C1)NC(=O)C(C)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=N4

InChI

InChI=1S/C28H27N3O3/c1-19(15-16-21-10-4-3-5-11-21)30-27(32)20(2)34-28(33)23-18-26(25-14-8-9-17-29-25)31-24-13-7-6-12-22(23)24/h3-14,17-20H,15-16H2,1-2H3,(H,30,32)