[2-(4-methoxycarbonylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate

Systemtic Name: [2-(4-methoxycarbonylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-(4-methoxycarbonyl-1-piperidyl)-2-oxo-ethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(3,4-dimethoxyphenyl)-4-quinolinecarboxylic acid [2-(4-methoxycarbonyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(3,4-dimethoxyphenyl)cinchoninic acid [2-(4-carbomethoxypiperidino)-2-keto-ethyl] ester Formula: C27H28N2O7 MolecularWeight: 492.52042

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)N4CCC(CC4)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)N4CCC(CC4)C(=O)OC)OC

InChI

InChI=1S/C27H28N2O7/c1-33-23-9-8-18(14-24(23)34-2)22-15-20(19-6-4-5-7-21(19)28-22)27(32)36-16-25(30)29-12-10-17(11-13-29)26(31)35-3/h4-9,14-15,17H,10-13,16H2,1-3H3