[2-oxidanylidene-2-[(4-piperidin-1-ylphenyl)amino]ethyl] 2-pyridin-4-ylquinoline-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(4-piperidin-1-ylphenyl)amino]ethyl] 2-pyridin-4-ylquinoline-4-carboxylate Openeye Name: [2-oxo-2-[4-(1-piperidyl)anilino]ethyl] 2-(4-pyridyl)quinoline-4-carboxylate CAS Name: 2-pyridin-4-yl-4-quinolinecarboxylic acid [2-oxo-2-[4-(1-piperidinyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2-pyridin-4-ylquinoline-4-carboxylate Traditional Name: 2-(4-pyridyl)cinchoninic acid [2-keto-2-(4-piperidinoanilino)ethyl] ester Formula: C28H26N4O3 MolecularWeight: 466.53104

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=NC=C5

Isomeric SMILES

C1CCN(CC1)C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=NC=C5

InChI

InChI=1S/C28H26N4O3/c33-27(30-21-8-10-22(11-9-21)32-16-4-1-5-17-32)19-35-28(34)24-18-26(20-12-14-29-15-13-20)31-25-7-3-2-6-23(24)25/h2-3,6-15,18H,1,4-5,16-17,19H2,(H,30,33)