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

Systemtic Name: [(2R)-1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] 3,4-dimethylbenzoate Openeye Name: [(1R)-2-(cyclohexylamino)-1-methyl-2-oxo-ethyl] 3,4-dimethylbenzoate CAS Name: 3,4-dimethylbenzoic acid [(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 3,4-dimethylbenzoate Traditional Name: 3,4-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=C(C=C(C=C1)C(=O)OC(C)C(=O)NC2CCCCC2)C

Isomeric SMILES

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

InChI

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