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

Systemtic Name: [(2R)-1-(4-ethoxyphenyl)-1-oxidanylidene-propan-2-yl] 2-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: [(1R)-2-(4-ethoxyphenyl)-1-methyl-2-oxo-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 2-ethyl-3-methyl-4-quinolinecarboxylic acid [(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-ethoxyphenyl)-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-phenetyl-ethyl] ester Formula: C24H25NO4 MolecularWeight: 391.4596

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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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C24H25NO4/c1-5-20-15(3)22(19-9-7-8-10-21(19)25-20)24(27)29-16(4)23(26)17-11-13-18(14-12-17)28-6-2/h7-14,16H,5-6H2,1-4H3/t16-/m1/s1