[2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] 6-methyl-2-phenyl-quinoline-4-carboxylate

Systemtic Name: [2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] 6-methyl-2-phenyl-quinoline-4-carboxylate Openeye Name: [2-(4-cyanoanilino)-2-oxo-ethyl] 6-methyl-2-phenyl-quinoline-4-carboxylate CAS Name: 6-methyl-2-phenyl-4-quinolinecarboxylic acid [2-(4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-cyanoanilino)-2-oxoethyl] 6-methyl-2-phenylquinoline-4-carboxylate Traditional Name: 6-methyl-2-phenyl-cinchoninic acid [2-(4-cyanoanilino)-2-keto-ethyl] ester Formula: C26H19N3O3 MolecularWeight: 421.44736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)OCC(=O)NC3=CC=C(C=C3)C#N)C4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)OCC(=O)NC3=CC=C(C=C3)C#N)C4=CC=CC=C4

InChI

InChI=1S/C26H19N3O3/c1-17-7-12-23-21(13-17)22(14-24(29-23)19-5-3-2-4-6-19)26(31)32-16-25(30)28-20-10-8-18(15-27)9-11-20/h2-14H,16H2,1H3,(H,28,30)