heptyl (2S)-2-phenylazanylpropanoate hydrochloride

Systemtic Name: heptyl (2S)-2-phenylazanylpropanoate hydrochloride Openeye Name: heptyl (2S)-2-anilinopropanoate hydrochloride CAS Name: (2S)-2-anilinopropanoic acid heptyl ester hydrochloride IUPAC Name: heptyl (2S)-2-anilinopropanoate hydrochloride Traditional Name: (2S)-2-anilinopropionic acid heptyl ester hydrochloride Formula: C16H26ClNO2 MolecularWeight: 299.83614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C(C)NC1=CC=CC=C1.Cl

Isomeric SMILES

CCCCCCCOC(=O)[C@H](C)NC1=CC=CC=C1.Cl

InChI

InChI=1S/C16H25NO2.ClH/c1-3-4-5-6-10-13-19-16(18)14(2)17-15-11-8-7-9-12-15;/h7-9,11-12,14,17H,3-6,10,13H2,1-2H3;1H/t14-;/m0./s1