[(2R)-1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 3-(3-methylphenoxy)propanoate

Systemtic Name: [(2R)-1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 3-(3-methylphenoxy)propanoate Openeye Name: [(1R)-2-(cycloheptylamino)-1-methyl-2-oxo-ethyl] 3-(3-methylphenoxy)propanoate CAS Name: 3-(3-methylphenoxy)propanoic acid [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 3-(3-methylphenoxy)propanoate Traditional Name: 3-(3-methylphenoxy)propionic acid [(1R)-2-(cycloheptylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H29NO4 MolecularWeight: 347.44856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCC(=O)OC(C)C(=O)NC2CCCCCC2

Isomeric SMILES

CC1=CC(=CC=C1)OCCC(=O)O[C@H](C)C(=O)NC2CCCCCC2

InChI

InChI=1S/C20H29NO4/c1-15-8-7-11-18(14-15)24-13-12-19(22)25-16(2)20(23)21-17-9-5-3-4-6-10-17/h7-8,11,14,16-17H,3-6,9-10,12-13H2,1-2H3,(H,21,23)/t16-/m1/s1