2-[2-[4-(1,3-benzodioxol-5-ylcarbonylamino)phenyl]propanoylamino]ethanoic acid

Systemtic Name: 2-[2-[4-(1,3-benzodioxol-5-ylcarbonylamino)phenyl]propanoylamino]ethanoic acid Openeye Name: 2-[2-[4-(1,3-benzodioxole-5-carbonylamino)phenyl]propanoylamino]acetic acid CAS Name: 2-[[2-[4-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]phenyl]-1-oxopropyl]amino]acetic acid IUPAC Name: 2-[2-[4-(1,3-benzodioxole-5-carbonylamino)phenyl]propanoylamino]acetic acid Traditional Name: 2-[2-[4-(piperonyloylamino)phenyl]propanoylamino]acetic acid Formula: C19H18N2O6 MolecularWeight: 370.35602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)OCO3)C(=O)NCC(=O)O

Isomeric SMILES

CC(C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)OCO3)C(=O)NCC(=O)O

InChI

InChI=1S/C19H18N2O6/c1-11(18(24)20-9-17(22)23)12-2-5-14(6-3-12)21-19(25)13-4-7-15-16(8-13)27-10-26-15/h2-8,11H,9-10H2,1H3,(H,20,24)(H,21,25)(H,22,23)