octyl (2S)-2-azanyl-3-phenyl-propanoate hydrochloride

Systemtic Name: octyl (2S)-2-azanyl-3-phenyl-propanoate hydrochloride Openeye Name: octyl (2S)-2-amino-3-phenyl-propanoate hydrochloride CAS Name: (2S)-2-amino-3-phenylpropanoic acid octyl ester hydrochloride IUPAC Name: octyl (2S)-2-amino-3-phenylpropanoate hydrochloride Traditional Name: (2S)-2-amino-3-phenyl-propionic acid octyl ester hydrochloride Formula: C17H28ClNO2 MolecularWeight: 313.86272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C(CC1=CC=CC=C1)N.Cl

Isomeric SMILES

CCCCCCCCOC(=O)[C@H](CC1=CC=CC=C1)N.Cl

InChI

InChI=1S/C17H27NO2.ClH/c1-2-3-4-5-6-10-13-20-17(19)16(18)14-15-11-8-7-9-12-15;/h7-9,11-12,16H,2-6,10,13-14,18H2,1H3;1H/t16-;/m0./s1