[(2S)-1-(cyclohexylmethylamino)-1-oxidanylidene-propan-2-yl] 3-(3,4-dimethoxyphenyl)propanoate

Systemtic Name: [(2S)-1-(cyclohexylmethylamino)-1-oxidanylidene-propan-2-yl] 3-(3,4-dimethoxyphenyl)propanoate Openeye Name: [(1S)-2-(cyclohexylmethylamino)-1-methyl-2-oxo-ethyl] 3-(3,4-dimethoxyphenyl)propanoate CAS Name: 3-(3,4-dimethoxyphenyl)propanoic acid [(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 3-(3,4-dimethoxyphenyl)propanoate Traditional Name: 3-(3,4-dimethoxyphenyl)propionic acid [(1S)-2-(cyclohexylmethylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H31NO5 MolecularWeight: 377.47454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1CCCCC1)OC(=O)CCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

C[C@@H](C(=O)NCC1CCCCC1)OC(=O)CCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C21H31NO5/c1-15(21(24)22-14-17-7-5-4-6-8-17)27-20(23)12-10-16-9-11-18(25-2)19(13-16)26-3/h9,11,13,15,17H,4-8,10,12,14H2,1-3H3,(H,22,24)/t15-/m0/s1