[2-[(5-chloranylpyridin-2-yl)amino]-2-oxidanylidene-ethyl] 2-(4-phenylphenyl)quinoline-4-carboxylate

Systemtic Name: [2-[(5-chloranylpyridin-2-yl)amino]-2-oxidanylidene-ethyl] 2-(4-phenylphenyl)quinoline-4-carboxylate Openeye Name: [2-[(5-chloro-2-pyridyl)amino]-2-oxo-ethyl] 2-(4-phenylphenyl)quinoline-4-carboxylate CAS Name: 2-(4-phenylphenyl)-4-quinolinecarboxylic acid [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-chloropyridin-2-yl)amino]-2-oxoethyl] 2-(4-phenylphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-phenylphenyl)cinchoninic acid [2-[(5-chloro-2-pyridyl)amino]-2-keto-ethyl] ester Formula: C29H20ClN3O3 MolecularWeight: 493.9404

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)OCC(=O)NC5=NC=C(C=C5)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)OCC(=O)NC5=NC=C(C=C5)Cl

InChI

InChI=1S/C29H20ClN3O3/c30-22-14-15-27(31-17-22)33-28(34)18-36-29(35)24-16-26(32-25-9-5-4-8-23(24)25)21-12-10-20(11-13-21)19-6-2-1-3-7-19/h1-17H,18H2,(H,31,33,34)