methyl 2-[[4-(cyanomethyl)phenyl]carbonylamino]-3-cyclohexyl-2-methyl-propanoate hydrochloride

Systemtic Name: methyl 2-[[4-(cyanomethyl)phenyl]carbonylamino]-3-cyclohexyl-2-methyl-propanoate hydrochloride Openeye Name: methyl 2-[[4-(cyanomethyl)benzoyl]amino]-3-cyclohexyl-2-methyl-propanoate hydrochloride CAS Name: 2-[[[4-(cyanomethyl)phenyl]-oxomethyl]amino]-3-cyclohexyl-2-methylpropanoic acid methyl ester hydrochloride IUPAC Name: methyl 2-[[4-(cyanomethyl)benzoyl]amino]-3-cyclohexyl-2-methylpropanoate hydrochloride Traditional Name: 2-[[4-(cyanomethyl)benzoyl]amino]-3-cyclohexyl-2-methyl-propionic acid methyl ester hydrochloride Formula: C20H27ClN2O3 MolecularWeight: 378.89298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1CCCCC1)(C(=O)OC)NC(=O)C2=CC=C(C=C2)CC#N.Cl

Isomeric SMILES

CC(CC1CCCCC1)(C(=O)OC)NC(=O)C2=CC=C(C=C2)CC#N.Cl

InChI

InChI=1S/C20H26N2O3.ClH/c1-20(19(24)25-2,14-16-6-4-3-5-7-16)22-18(23)17-10-8-15(9-11-17)12-13-21;/h8-11,16H,3-7,12,14H2,1-2H3,(H,22,23);1H