[(2S)-1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] 2,6-dimethylquinoline-4-carboxylate

Systemtic Name: [(2S)-1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] 2,6-dimethylquinoline-4-carboxylate Openeye Name: [(1S)-2-(cyclohexylamino)-1-methyl-2-oxo-ethyl] 2,6-dimethylquinoline-4-carboxylate CAS Name: 2,6-dimethyl-4-quinolinecarboxylic acid [(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2,6-dimethylquinoline-4-carboxylate Traditional Name: 2,6-dimethylcinchoninic acid [(1S)-2-(cyclohexylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)OC(C)C(=O)NC3CCCCC3)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)O[C@@H](C)C(=O)NC3CCCCC3)C

InChI

InChI=1S/C21H26N2O3/c1-13-9-10-19-17(11-13)18(12-14(2)22-19)21(25)26-15(3)20(24)23-16-7-5-4-6-8-16/h9-12,15-16H,4-8H2,1-3H3,(H,23,24)/t15-/m0/s1