[(2R)-1-oxidanylidene-1-[(2,4,6-trimethylphenyl)amino]propan-2-yl] 2-ethyl-3-methyl-quinoline-4-carboxylate

Systemtic Name: [(2R)-1-oxidanylidene-1-[(2,4,6-trimethylphenyl)amino]propan-2-yl] 2-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: [(1R)-1-methyl-2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 2-ethyl-3-methyl-4-quinolinecarboxylic acid [(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 2-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 2-ethyl-3-methyl-cinchoninic acid [(1R)-2-keto-2-mesidino-1-methyl-ethyl] ester Formula: C25H28N2O3 MolecularWeight: 404.50142

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OC(C)C(=O)NC3=C(C=C(C=C3C)C)C

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)O[C@H](C)C(=O)NC3=C(C=C(C=C3C)C)C

InChI

InChI=1S/C25H28N2O3/c1-7-20-17(5)22(19-10-8-9-11-21(19)26-20)25(29)30-18(6)24(28)27-23-15(3)12-14(2)13-16(23)4/h8-13,18H,7H2,1-6H3,(H,27,28)/t18-/m1/s1