[(2R)-1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] 2,4-dimethylquinoline-3-carboxylate

Systemtic Name: [(2R)-1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] 2,4-dimethylquinoline-3-carboxylate Openeye Name: [(1R)-2-(cyclohexylamino)-1-methyl-2-oxo-ethyl] 2,4-dimethylquinoline-3-carboxylate CAS Name: 2,4-dimethyl-3-quinolinecarboxylic acid [(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2,4-dimethylquinoline-3-carboxylate Traditional Name: 2,4-dimethylquinoline-3-carboxylic acid [(1R)-2-(cyclohexylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)C)C(=O)OC(C)C(=O)NC3CCCCC3

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)C)C(=O)O[C@H](C)C(=O)NC3CCCCC3

InChI

InChI=1S/C21H26N2O3/c1-13-17-11-7-8-12-18(17)22-14(2)19(13)21(25)26-15(3)20(24)23-16-9-5-4-6-10-16/h7-8,11-12,15-16H,4-6,9-10H2,1-3H3,(H,23,24)/t15-/m1/s1