[2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate

Systemtic Name: [2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate Openeye Name: [2-(4-butylanilino)-2-oxo-ethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate CAS Name: 2-(2-chlorophenyl)-4-quinolinecarboxylic acid [2-(4-butylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-butylanilino)-2-oxoethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate Traditional Name: 2-(2-chlorophenyl)cinchoninic acid [2-(4-butylanilino)-2-keto-ethyl] ester Formula: C28H25ClN2O3 MolecularWeight: 472.9627

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4Cl

InChI

InChI=1S/C28H25ClN2O3/c1-2-3-8-19-13-15-20(16-14-19)30-27(32)18-34-28(33)23-17-26(22-10-4-6-11-24(22)29)31-25-12-7-5-9-21(23)25/h4-7,9-17H,2-3,8,18H2,1H3,(H,30,32)