[2-(cyclohexylcarbonylamino)-2-oxidanylidene-ethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate

Systemtic Name: [2-(cyclohexylcarbonylamino)-2-oxidanylidene-ethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-(cyclohexanecarbonylamino)-2-oxo-ethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(3,4-dimethoxyphenyl)-4-quinolinecarboxylic acid [2-[[cyclohexyl(oxo)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(cyclohexanecarbonylamino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(3,4-dimethoxyphenyl)cinchoninic acid [2-(cyclohexanecarbonylamino)-2-keto-ethyl] ester Formula: C27H28N2O6 MolecularWeight: 476.52102

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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)NC(=O)C4CCCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)NC(=O)C4CCCCC4)OC

InChI

InChI=1S/C27H28N2O6/c1-33-23-13-12-18(14-24(23)34-2)22-15-20(19-10-6-7-11-21(19)28-22)27(32)35-16-25(30)29-26(31)17-8-4-3-5-9-17/h6-7,10-15,17H,3-5,8-9,16H2,1-2H3,(H,29,30,31)