[(2R)-1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 3-(3,5-dimethoxyphenyl)propanoate

Systemtic Name: [(2R)-1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 3-(3,5-dimethoxyphenyl)propanoate Openeye Name: [(1R)-2-(cycloheptylamino)-1-methyl-2-oxo-ethyl] 3-(3,5-dimethoxyphenyl)propanoate CAS Name: 3-(3,5-dimethoxyphenyl)propanoic acid [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 3-(3,5-dimethoxyphenyl)propanoate Traditional Name: 3-(3,5-dimethoxyphenyl)propionic acid [(1R)-2-(cycloheptylamino)-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)NC1CCCCCC1)OC(=O)CCC2=CC(=CC(=C2)OC)OC

Isomeric SMILES

C[C@H](C(=O)NC1CCCCCC1)OC(=O)CCC2=CC(=CC(=C2)OC)OC

InChI

InChI=1S/C21H31NO5/c1-15(21(24)22-17-8-6-4-5-7-9-17)27-20(23)11-10-16-12-18(25-2)14-19(13-16)26-3/h12-15,17H,4-11H2,1-3H3,(H,22,24)/t15-/m1/s1