[(2R)-1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] 2,4-dimethylbenzoate

Systemtic Name: [(2R)-1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] 2,4-dimethylbenzoate Openeye Name: [(1R)-2-(cyclohexylamino)-1-methyl-2-oxo-ethyl] 2,4-dimethylbenzoate CAS Name: 2,4-dimethylbenzoic acid [(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2,4-dimethylbenzoate Traditional Name: 2,4-dimethylbenzoic acid [(1R)-2-(cyclohexylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H25NO3 MolecularWeight: 303.396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)OC(C)C(=O)NC2CCCCC2)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)O[C@H](C)C(=O)NC2CCCCC2)C

InChI

InChI=1S/C18H25NO3/c1-12-9-10-16(13(2)11-12)18(21)22-14(3)17(20)19-15-7-5-4-6-8-15/h9-11,14-15H,4-8H2,1-3H3,(H,19,20)/t14-/m1/s1