3-[(phenylmethyl)-propyl-amino]butanoic acid

Systemtic Name: 3-[(phenylmethyl)-propyl-amino]butanoic acid Openeye Name: 3-[benzyl(propyl)amino]butanoic acid CAS Name: 3-[(phenylmethyl)-propylamino]butanoic acid IUPAC Name: 3-[benzyl(propyl)amino]butanoic acid Traditional Name: 3-[benzyl(propyl)amino]butyric acid Formula: C14H21NO2 MolecularWeight: 235.32204

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=CC=C1)C(C)CC(=O)O

Isomeric SMILES

CCCN(CC1=CC=CC=C1)C(C)CC(=O)O

InChI

InChI=1S/C14H21NO2/c1-3-9-15(12(2)10-14(16)17)11-13-7-5-4-6-8-13/h4-8,12H,3,9-11H2,1-2H3,(H,16,17)