[2-oxidanylidene-2-[[2-(phenylmethyl)phenyl]amino]ethyl] 2-pyridin-3-ylquinoline-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[2-(phenylmethyl)phenyl]amino]ethyl] 2-pyridin-3-ylquinoline-4-carboxylate Openeye Name: [2-(2-benzylanilino)-2-oxo-ethyl] 2-(3-pyridyl)quinoline-4-carboxylate CAS Name: 2-(3-pyridinyl)-4-quinolinecarboxylic acid [2-oxo-2-[2-(phenylmethyl)anilino]ethyl] ester IUPAC Name: [2-(2-benzylanilino)-2-oxoethyl] 2-pyridin-3-ylquinoline-4-carboxylate Traditional Name: 2-(3-pyridyl)cinchoninic acid [2-(2-benzylanilino)-2-keto-ethyl] ester Formula: C30H23N3O3 MolecularWeight: 473.52192

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC=CC=C2NC(=O)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CN=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC=CC=C2NC(=O)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CN=CC=C5

InChI

InChI=1S/C30H23N3O3/c34-29(33-26-14-6-4-11-22(26)17-21-9-2-1-3-10-21)20-36-30(35)25-18-28(23-12-8-16-31-19-23)32-27-15-7-5-13-24(25)27/h1-16,18-19H,17,20H2,(H,33,34)