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

Systemtic Name: [2-[[4-(2-methylpropoxycarbonyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-(4-isobutoxycarbonylanilino)-2-oxo-ethyl] 2-(4-benzyloxyphenyl)quinoline-4-carboxylate CAS Name: 2-(4-phenylmethoxyphenyl)-4-quinolinecarboxylic acid [2-[4-[2-methylpropoxy(oxo)methyl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(2-methylpropoxycarbonyl)anilino]-2-oxoethyl] 2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-benzoxyphenyl)cinchoninic acid [2-(4-isobutoxycarbonylanilino)-2-keto-ethyl] ester Formula: C36H32N2O6 MolecularWeight: 588.64908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)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

CC(C)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/C36H32N2O6/c1-24(2)21-43-35(40)27-12-16-28(17-13-27)37-34(39)23-44-36(41)31-20-33(38-32-11-7-6-10-30(31)32)26-14-18-29(19-15-26)42-22-25-8-4-3-5-9-25/h3-20,24H,21-23H2,1-2H3,(H,37,39)