(3R)-3-(1,3-benzodioxol-5-yl)-3-(3-phenylpropanoylamino)propanoic acid

Systemtic Name: (3R)-3-(1,3-benzodioxol-5-yl)-3-(3-phenylpropanoylamino)propanoic acid Openeye Name: (3R)-3-(1,3-benzodioxol-5-yl)-3-(3-phenylpropanoylamino)propanoic acid CAS Name: (3R)-3-(1,3-benzodioxol-5-yl)-3-[(1-oxo-3-phenylpropyl)amino]propanoic acid IUPAC Name: (3R)-3-(1,3-benzodioxol-5-yl)-3-(3-phenylpropanoylamino)propanoic acid Traditional Name: (3R)-3-(1,3-benzodioxol-5-yl)-3-(hydrocinnamoylamino)propionic acid Formula: C19H19NO5 MolecularWeight: 341.35786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(CC(=O)O)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)[C@@H](CC(=O)O)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C19H19NO5/c21-18(9-6-13-4-2-1-3-5-13)20-15(11-19(22)23)14-7-8-16-17(10-14)25-12-24-16/h1-5,7-8,10,15H,6,9,11-12H2,(H,20,21)(H,22,23)/t15-/m1/s1