[2-oxidanylidene-2-[[4-[phenyl(propan-2-yl)amino]phenyl]amino]ethyl] 2-pyridin-4-ylquinoline-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[4-[phenyl(propan-2-yl)amino]phenyl]amino]ethyl] 2-pyridin-4-ylquinoline-4-carboxylate Openeye Name: [2-[4-(N-isopropylanilino)anilino]-2-oxo-ethyl] 2-(4-pyridyl)quinoline-4-carboxylate CAS Name: 2-pyridin-4-yl-4-quinolinecarboxylic acid [2-oxo-2-[4-(N-propan-2-ylanilino)anilino]ethyl] ester IUPAC Name: [2-oxo-2-[4-(N-propan-2-ylanilino)anilino]ethyl] 2-pyridin-4-ylquinoline-4-carboxylate Traditional Name: 2-(4-pyridyl)cinchoninic acid [2-[4-(N-isopropylanilino)anilino]-2-keto-ethyl] ester Formula: C32H28N4O3 MolecularWeight: 516.58972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=CC=CC=C1)C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=NC=C5

Isomeric SMILES

CC(C)N(C1=CC=CC=C1)C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=NC=C5

InChI

InChI=1S/C32H28N4O3/c1-22(2)36(25-8-4-3-5-9-25)26-14-12-24(13-15-26)34-31(37)21-39-32(38)28-20-30(23-16-18-33-19-17-23)35-29-11-7-6-10-27(28)29/h3-20,22H,21H2,1-2H3,(H,34,37)