[2-[[4-(2-methylpropoxycarbonyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-methyl-2-(4-methylphenyl)quinoline-4-carboxylate

Systemtic Name: [2-[[4-(2-methylpropoxycarbonyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-methyl-2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: [2-(4-isobutoxycarbonylanilino)-2-oxo-ethyl] 3-methyl-2-(p-tolyl)quinoline-4-carboxylate CAS Name: 3-methyl-2-(4-methylphenyl)-4-quinolinecarboxylic acid [2-[4-[2-methylpropoxy(oxo)methyl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(2-methylpropoxycarbonyl)anilino]-2-oxoethyl] 3-methyl-2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 3-methyl-2-(p-tolyl)cinchoninic acid [2-(4-isobutoxycarbonylanilino)-2-keto-ethyl] ester Formula: C31H30N2O5 MolecularWeight: 510.5803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2C)C(=O)OCC(=O)NC4=CC=C(C=C4)C(=O)OCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2C)C(=O)OCC(=O)NC4=CC=C(C=C4)C(=O)OCC(C)C

InChI

InChI=1S/C31H30N2O5/c1-19(2)17-37-30(35)23-13-15-24(16-14-23)32-27(34)18-38-31(36)28-21(4)29(22-11-9-20(3)10-12-22)33-26-8-6-5-7-25(26)28/h5-16,19H,17-18H2,1-4H3,(H,32,34)