methyl (2S)-2-[(1-cyanocyclohexyl)amino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[(1-cyanocyclohexyl)amino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[(1-cyanocyclohexyl)amino]-3-phenyl-propanoate CAS Name: (2S)-2-[(1-cyanocyclohexyl)amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(1-cyanocyclohexyl)amino]-3-phenylpropanoate Traditional Name: (2S)-2-[(1-cyanocyclohexyl)amino]-3-phenyl-propionic acid methyl ester Formula: C17H22N2O2 MolecularWeight: 286.36878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC2(CCCCC2)C#N

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC2(CCCCC2)C#N

InChI

InChI=1S/C17H22N2O2/c1-21-16(20)15(12-14-8-4-2-5-9-14)19-17(13-18)10-6-3-7-11-17/h2,4-5,8-9,15,19H,3,6-7,10-12H2,1H3/t15-/m0/s1