3-[(4-ethylphenyl)methylamino]propanoic acid

Systemtic Name: 3-[(4-ethylphenyl)methylamino]propanoic acid Openeye Name: 3-[(4-ethylphenyl)methylamino]propanoic acid CAS Name: 3-[(4-ethylphenyl)methylamino]propanoic acid IUPAC Name: 3-[(4-ethylphenyl)methylamino]propanoic acid Traditional Name: 3-[(4-ethylbenzyl)amino]propionic acid Formula: C12H17NO2 MolecularWeight: 207.26888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CNCCC(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)CNCCC(=O)O

InChI

InChI=1S/C12H17NO2/c1-2-10-3-5-11(6-4-10)9-13-8-7-12(14)15/h3-6,13H,2,7-9H2,1H3,(H,14,15)