[2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 2-(4-ethylphenyl)-6-methyl-quinoline-4-carboxylate

Systemtic Name: [2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 2-(4-ethylphenyl)-6-methyl-quinoline-4-carboxylate Openeye Name: [2-(4-ethylphenyl)-2-oxo-ethyl] 2-(4-ethylphenyl)-6-methyl-quinoline-4-carboxylate CAS Name: 2-(4-ethylphenyl)-6-methyl-4-quinolinecarboxylic acid [2-(4-ethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethylphenyl)-2-oxoethyl] 2-(4-ethylphenyl)-6-methylquinoline-4-carboxylate Traditional Name: 2-(4-ethylphenyl)-6-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=C(C=C3)C)C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)CC

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C)C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)CC

InChI

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