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

Systemtic Name: 2-[[(Z)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]pentanedioic acid Openeye Name: 2-[[(Z)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]pentanedioic acid CAS Name: 2-[[(Z)-2-benzamido-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]pentanedioic acid IUPAC Name: 2-[[(Z)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]pentanedioic acid Traditional Name: 2-[[(Z)-2-benzamido-3-(1,3-benzodioxol-5-yl)acryloyl]amino]glutaric acid Formula: C22H20N2O8 MolecularWeight: 440.4028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O8/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/h1-6,8,10-11,15H,7,9,12H2,(H,23,28)(H,24,27)(H,25,26)(H,29,30)/b16-10-