ethanoic acid; ethyl (3S)-3-azanyl-3-phenyl-propanoate

Systemtic Name: ethanoic acid; ethyl (3S)-3-azanyl-3-phenyl-propanoate Openeye Name: acetic acid; ethyl (3S)-3-amino-3-phenyl-propanoate CAS Name: acetic acid; (3S)-3-amino-3-phenylpropanoic acid ethyl ester IUPAC Name: acetic acid; ethyl (3S)-3-amino-3-phenylpropanoate Traditional Name: acetic acid; (3S)-3-amino-3-phenyl-propionic acid ethyl ester Formula: C13H19NO4 MolecularWeight: 253.29426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC=CC=C1)N.CC(=O)O

Isomeric SMILES

CCOC(=O)C[C@@H](C1=CC=CC=C1)N.CC(=O)O

InChI

InChI=1S/C11H15NO2.C2H4O2/c1-2-14-11(13)8-10(12)9-6-4-3-5-7-9;1-2(3)4/h3-7,10H,2,8,12H2,1H3;1H3,(H,3,4)/t10-;/m0./s1