[2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate

Systemtic Name: [2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-(4-cyanoanilino)-2-oxo-ethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(3,4-dimethoxyphenyl)-4-quinolinecarboxylic acid [2-(4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-cyanoanilino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(3,4-dimethoxyphenyl)cinchoninic acid [2-(4-cyanoanilino)-2-keto-ethyl] ester Formula: C27H21N3O5 MolecularWeight: 467.47274

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)NC4=CC=C(C=C4)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)NC4=CC=C(C=C4)C#N)OC

InChI

InChI=1S/C27H21N3O5/c1-33-24-12-9-18(13-25(24)34-2)23-14-21(20-5-3-4-6-22(20)30-23)27(32)35-16-26(31)29-19-10-7-17(15-28)8-11-19/h3-14H,16H2,1-2H3,(H,29,31)