[(2S)-1-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl] 2,3-dimethylquinoline-4-carboxylate

Systemtic Name: [(2S)-1-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl] 2,3-dimethylquinoline-4-carboxylate Openeye Name: [(1S)-2-(4-methoxyphenyl)-1-methyl-2-oxo-ethyl] 2,3-dimethylquinoline-4-carboxylate CAS Name: 2,3-dimethyl-4-quinolinecarboxylic acid [(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2,3-dimethylquinoline-4-carboxylate Traditional Name: 2,3-dimethylcinchoninic acid [(1S)-2-keto-2-(4-methoxyphenyl)-1-methyl-ethyl] ester Formula: C22H21NO4 MolecularWeight: 363.40644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N=C1C)C(=O)OC(C)C(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C(C2=CC=CC=C2N=C1C)C(=O)O[C@@H](C)C(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H21NO4/c1-13-14(2)23-19-8-6-5-7-18(19)20(13)22(25)27-15(3)21(24)16-9-11-17(26-4)12-10-16/h5-12,15H,1-4H3/t15-/m0/s1