[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 2-ethyl-3-methyl-4-quinolinecarboxylic acid [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 2-ethyl-3-methyl-cinchoninic acid [2-keto-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C24H25NO3 MolecularWeight: 375.4602

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC(=O)C3=CC(=C(C=C3C)C)C

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC(=O)C3=CC(=C(C=C3C)C)C

InChI

InChI=1S/C24H25NO3/c1-6-20-17(5)23(18-9-7-8-10-21(18)25-20)24(27)28-13-22(26)19-12-15(3)14(2)11-16(19)4/h7-12H,6,13H2,1-5H3