[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxidanylidene-ethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate

Systemtic Name: [2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxidanylidene-ethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate Openeye Name: [2-[(1-ethoxycarbonyl-4-piperidyl)amino]-2-oxo-ethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate CAS Name: 2-(2,4-dimethylphenyl)-4-quinolinecarboxylic acid [2-[(1-ethoxycarbonyl-4-piperidinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate Traditional Name: 2-(2,4-dimethylphenyl)cinchoninic acid [2-[(1-carbethoxy-4-piperidyl)amino]-2-keto-ethyl] ester Formula: C28H31N3O5 MolecularWeight: 489.56284

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=C(C=C(C=C4)C)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=C(C=C(C=C4)C)C

InChI

InChI=1S/C28H31N3O5/c1-4-35-28(34)31-13-11-20(12-14-31)29-26(32)17-36-27(33)23-16-25(21-10-9-18(2)15-19(21)3)30-24-8-6-5-7-22(23)24/h5-10,15-16,20H,4,11-14,17H2,1-3H3,(H,29,32)