2-phenylazanylpropanoic acid; propan-1-ol; hydrochloride

Systemtic Name: 2-phenylazanylpropanoic acid; propan-1-ol; hydrochloride Openeye Name: 2-anilinopropanoic acid; propan-1-ol; hydrochloride CAS Name: 2-anilinopropanoic acid; 1-propanol; hydrochloride IUPAC Name: 2-anilinopropanoic acid; propan-1-ol; hydrochloride Traditional Name: 2-anilinopropionic acid; propan-1-ol; hydrochloride Formula: C12H20ClNO3 MolecularWeight: 261.7451

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11NO2.C3H8O.ClH/c1-7(9(11)12)10-8-5-3-2-4-6-8;1-2-3-4;/h2-7,10H,1H3,(H,11,12);4H,2-3H2,1H3;1H