[1-[(4-acetamidophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-phenylquinoline-4-carboxylate

Systemtic Name: [1-[(4-acetamidophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-phenylquinoline-4-carboxylate Openeye Name: [2-(4-acetamidoanilino)-1-methyl-2-oxo-ethyl] 2-phenylquinoline-4-carboxylate CAS Name: 2-phenyl-4-quinolinecarboxylic acid [1-(4-acetamidoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-phenylquinoline-4-carboxylate Traditional Name: 2-phenylcinchoninic acid [2-(4-acetamidoanilino)-2-keto-1-methyl-ethyl] ester Formula: C27H23N3O4 MolecularWeight: 453.48922

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)NC(=O)C)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)NC(=O)C)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C27H23N3O4/c1-17(26(32)29-21-14-12-20(13-15-21)28-18(2)31)34-27(33)23-16-25(19-8-4-3-5-9-19)30-24-11-7-6-10-22(23)24/h3-17H,1-2H3,(H,28,31)(H,29,32)