[(2R)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 2-ethyl-3-methyl-quinoline-4-carboxylate

Systemtic Name: [(2R)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 2-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: [(1R)-1-methyl-2-oxo-2-(p-tolyl)ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 2-ethyl-3-methyl-4-quinolinecarboxylic acid [(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] 2-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 2-ethyl-3-methyl-cinchoninic acid [(1R)-2-keto-1-methyl-2-(p-tolyl)ethyl] ester Formula: C23H23NO3 MolecularWeight: 361.43362

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OC(C)C(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)O[C@H](C)C(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C23H23NO3/c1-5-19-15(3)21(18-8-6-7-9-20(18)24-19)23(26)27-16(4)22(25)17-12-10-14(2)11-13-17/h6-13,16H,5H2,1-4H3/t16-/m1/s1