[2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 2-(4-ethylphenyl)-8-methyl-quinoline-4-carboxylate

Systemtic Name: [2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 2-(4-ethylphenyl)-8-methyl-quinoline-4-carboxylate Openeye Name: [2-(4-ethylphenyl)-2-oxo-ethyl] 2-(4-ethylphenyl)-8-methyl-quinoline-4-carboxylate CAS Name: 2-(4-ethylphenyl)-8-methyl-4-quinolinecarboxylic acid [2-(4-ethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethylphenyl)-2-oxoethyl] 2-(4-ethylphenyl)-8-methylquinoline-4-carboxylate Traditional Name: 2-(4-ethylphenyl)-8-methyl-cinchoninic acid [2-(4-ethylphenyl)-2-keto-ethyl] ester Formula: C29H27NO3 MolecularWeight: 437.52958

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC3=C(C=CC=C3C)C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)CC

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC3=C(C=CC=C3C)C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)CC

InChI

InChI=1S/C29H27NO3/c1-4-20-9-13-22(14-10-20)26-17-25(24-8-6-7-19(3)28(24)30-26)29(32)33-18-27(31)23-15-11-21(5-2)12-16-23/h6-17H,4-5,18H2,1-3H3