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

Systemtic Name: [2-[[4-(diethylamino)phenyl]amino]-2-oxidanylidene-ethyl] 2-pyridin-4-ylquinoline-4-carboxylate Openeye Name: [2-[4-(diethylamino)anilino]-2-oxo-ethyl] 2-(4-pyridyl)quinoline-4-carboxylate CAS Name: 2-pyridin-4-yl-4-quinolinecarboxylic acid [2-[4-(diethylamino)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(diethylamino)anilino]-2-oxoethyl] 2-pyridin-4-ylquinoline-4-carboxylate Traditional Name: 2-(4-pyridyl)cinchoninic acid [2-[4-(diethylamino)anilino]-2-keto-ethyl] ester Formula: C27H26N4O3 MolecularWeight: 454.52034

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=NC=C4

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=NC=C4

InChI

InChI=1S/C27H26N4O3/c1-3-31(4-2)21-11-9-20(10-12-21)29-26(32)18-34-27(33)23-17-25(19-13-15-28-16-14-19)30-24-8-6-5-7-22(23)24/h5-17H,3-4,18H2,1-2H3,(H,29,32)