[(2R)-1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 3-(3,4-dimethoxyphenyl)propanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCCC1)OC(=O)CCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H31NO5/c1-15(21(24)22-17-8-6-4-5-7-9-17)27-20(23)13-11-16-10-12-18(25-2)19(14-16)26-3/h10,12,14-15,17H,4-9,11,13H2,1-3H3,(H,22,24)/t15-/m1/s1