2-(3,4-dimethoxyphenyl)-4-[(phenylmethyl)amino]butanoic acid

Systemtic Name: 2-(3,4-dimethoxyphenyl)-4-[(phenylmethyl)amino]butanoic acid Openeye Name: 4-(benzylamino)-2-(3,4-dimethoxyphenyl)butanoic acid CAS Name: 2-(3,4-dimethoxyphenyl)-4-[(phenylmethyl)amino]butanoic acid IUPAC Name: 4-(benzylamino)-2-(3,4-dimethoxyphenyl)butanoic acid Traditional Name: 4-(benzylamino)-2-(3,4-dimethoxyphenyl)butyric acid Formula: C19H23NO4 MolecularWeight: 329.39022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CCNCC2=CC=CC=C2)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(CCNCC2=CC=CC=C2)C(=O)O)OC

InChI

InChI=1S/C19H23NO4/c1-23-17-9-8-15(12-18(17)24-2)16(19(21)22)10-11-20-13-14-6-4-3-5-7-14/h3-9,12,16,20H,10-11,13H2,1-2H3,(H,21,22)