octadecyl 2-azanyl-3-phenyl-propanoate hydrochloride

Systemtic Name: octadecyl 2-azanyl-3-phenyl-propanoate hydrochloride Openeye Name: octadecyl 2-amino-3-phenyl-propanoate hydrochloride CAS Name: 2-amino-3-phenylpropanoic acid octadecyl ester hydrochloride IUPAC Name: octadecyl 2-amino-3-phenylpropanoate hydrochloride Traditional Name: 2-amino-3-phenyl-propionic acid stearyl ester hydrochloride Formula: C27H48ClNO2 MolecularWeight: 454.12852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H47NO2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-30-27(29)26(28)24-25-21-18-17-19-22-25;/h17-19,21-22,26H,2-16,20,23-24,28H2,1H3;1H