2-(1,3-benzodioxol-2-ylcarbonylamino)-3-[4-(2-methoxyphenyl)phenyl]propanoic acid

Systemtic Name: 2-(1,3-benzodioxol-2-ylcarbonylamino)-3-[4-(2-methoxyphenyl)phenyl]propanoic acid Openeye Name: 2-(1,3-benzodioxole-2-carbonylamino)-3-[4-(2-methoxyphenyl)phenyl]propanoic acid CAS Name: 2-[[1,3-benzodioxol-2-yl(oxo)methyl]amino]-3-[4-(2-methoxyphenyl)phenyl]propanoic acid IUPAC Name: 2-(1,3-benzodioxole-2-carbonylamino)-3-[4-(2-methoxyphenyl)phenyl]propanoic acid Traditional Name: 2-(1,3-benzodioxole-2-carbonylamino)-3-[4-(2-methoxyphenyl)phenyl]propionic acid Formula: C24H21NO6 MolecularWeight: 419.42664

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=CC=C(C=C2)CC(C(=O)O)NC(=O)C3OC4=CC=CC=C4O3

Isomeric SMILES

COC1=CC=CC=C1C2=CC=C(C=C2)CC(C(=O)O)NC(=O)C3OC4=CC=CC=C4O3

InChI

InChI=1S/C24H21NO6/c1-29-19-7-3-2-6-17(19)16-12-10-15(11-13-16)14-18(23(27)28)25-22(26)24-30-20-8-4-5-9-21(20)31-24/h2-13,18,24H,14H2,1H3,(H,25,26)(H,27,28)