[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-(4-butan-2-ylphenyl)quinoline-4-carboxylate

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-(4-butan-2-ylphenyl)quinoline-4-carboxylate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] 2-(4-sec-butylphenyl)quinoline-4-carboxylate CAS Name: 2-(4-butan-2-ylphenyl)-4-quinolinecarboxylic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] 2-(4-butan-2-ylphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-sec-butylphenyl)cinchoninic acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C29H25N3O3 MolecularWeight: 463.5271

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)NC4=CC=CC(=C4)C#N

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)NC4=CC=CC(=C4)C#N

InChI

InChI=1S/C29H25N3O3/c1-3-19(2)21-11-13-22(14-12-21)27-16-25(24-9-4-5-10-26(24)32-27)29(34)35-18-28(33)31-23-8-6-7-20(15-23)17-30/h4-16,19H,3,18H2,1-2H3,(H,31,33)