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

Systemtic Name: [2-(4-methoxycarbonylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate Openeye Name: [2-(4-methoxycarbonyl-1-piperidyl)-2-oxo-ethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate CAS Name: 2-(2,4-dimethylphenyl)-4-quinolinecarboxylic acid [2-(4-methoxycarbonyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate Traditional Name: 2-(2,4-dimethylphenyl)cinchoninic acid [2-(4-carbomethoxypiperidino)-2-keto-ethyl] ester Formula: C27H28N2O5 MolecularWeight: 460.52162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)N4CCC(CC4)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)N4CCC(CC4)C(=O)OC)C

InChI

InChI=1S/C27H28N2O5/c1-17-8-9-20(18(2)14-17)24-15-22(21-6-4-5-7-23(21)28-24)27(32)34-16-25(30)29-12-10-19(11-13-29)26(31)33-3/h4-9,14-15,19H,10-13,16H2,1-3H3