2-(1,3-benzodioxol-5-ylcarbonylamino)-3-(4-hydroxyphenyl)propanoic acid

Systemtic Name: 2-(1,3-benzodioxol-5-ylcarbonylamino)-3-(4-hydroxyphenyl)propanoic acid Openeye Name: 2-(1,3-benzodioxole-5-carbonylamino)-3-(4-hydroxyphenyl)propanoic acid CAS Name: 2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: 2-(1,3-benzodioxole-5-carbonylamino)-3-(4-hydroxyphenyl)propanoic acid Traditional Name: 3-(4-hydroxyphenyl)-2-(piperonyloylamino)propionic acid Formula: C17H15NO6 MolecularWeight: 329.3041

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15NO6/c19-12-4-1-10(2-5-12)7-13(17(21)22)18-16(20)11-3-6-14-15(8-11)24-9-23-14/h1-6,8,13,19H,7,9H2,(H,18,20)(H,21,22)