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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4Cl

Isomeric SMILES

CCC(C)C1=CC=CC=C1NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4Cl

InChI

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