2-[[2-benzamido-3-(1,3-benzodioxol-5-yl)propanoyl]amino]pentanedioic acid

Systemtic Name: 2-[[2-benzamido-3-(1,3-benzodioxol-5-yl)propanoyl]amino]pentanedioic acid Openeye Name: 2-[[2-benzamido-3-(1,3-benzodioxol-5-yl)propanoyl]amino]pentanedioic acid CAS Name: 2-[[2-benzamido-3-(1,3-benzodioxol-5-yl)-1-oxopropyl]amino]pentanedioic acid IUPAC Name: 2-[[2-benzamido-3-(1,3-benzodioxol-5-yl)propanoyl]amino]pentanedioic acid Traditional Name: 2-[[2-benzamido-3-(1,3-benzodioxol-5-yl)propanoyl]amino]glutaric acid Formula: C22H22N2O8 MolecularWeight: 442.41868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O8/c25-19(26)9-7-15(22(29)30)23-21(28)16(24-20(27)14-4-2-1-3-5-14)10-13-6-8-17-18(11-13)32-12-31-17/h1-6,8,11,15-16H,7,9-10,12H2,(H,23,28)(H,24,27)(H,25,26)(H,29,30)