3-(1,3-benzodioxol-5-yl)-3-(2-phenylethanoylamino)propanoic acid

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-3-(2-phenylethanoylamino)propanoic acid Openeye Name: 3-(1,3-benzodioxol-5-yl)-3-[(2-phenylacetyl)amino]propanoic acid CAS Name: 3-(1,3-benzodioxol-5-yl)-3-[(1-oxo-2-phenylethyl)amino]propanoic acid IUPAC Name: 3-(1,3-benzodioxol-5-yl)-3-[(2-phenylacetyl)amino]propanoic acid Traditional Name: 3-(1,3-benzodioxol-5-yl)-3-[(2-phenylacetyl)amino]propionic acid Formula: C18H17NO5 MolecularWeight: 327.33128

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(CC(=O)O)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(CC(=O)O)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C18H17NO5/c20-17(8-12-4-2-1-3-5-12)19-14(10-18(21)22)13-6-7-15-16(9-13)24-11-23-15/h1-7,9,14H,8,10-11H2,(H,19,20)(H,21,22)