[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(4-methoxyphenyl)-4-quinolinecarboxylic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-methoxyphenyl)cinchoninic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C26H25N3O4 MolecularWeight: 443.4944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)NC4(CCCCC4)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)NC4(CCCCC4)C#N

InChI

InChI=1S/C26H25N3O4/c1-32-19-11-9-18(10-12-19)23-15-21(20-7-3-4-8-22(20)28-23)25(31)33-16-24(30)29-26(17-27)13-5-2-6-14-26/h3-4,7-12,15H,2,5-6,13-14,16H2,1H3,(H,29,30)