[2-[(4-methoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl] 2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate

Systemtic Name: [2-[(4-methoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl] 2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-(4-methoxycarbonylanilino)-2-oxo-ethyl] 2-(4-benzyloxyphenyl)quinoline-4-carboxylate CAS Name: 2-(4-phenylmethoxyphenyl)-4-quinolinecarboxylic acid [2-(4-methoxycarbonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-benzoxyphenyl)cinchoninic acid [2-(4-carbomethoxyanilino)-2-keto-ethyl] ester Formula: C33H26N2O6 MolecularWeight: 546.56934

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C33H26N2O6/c1-39-32(37)24-11-15-25(16-12-24)34-31(36)21-41-33(38)28-19-30(35-29-10-6-5-9-27(28)29)23-13-17-26(18-14-23)40-20-22-7-3-2-4-8-22/h2-19H,20-21H2,1H3,(H,34,36)