2-[[(E)-2-benzamido-3-phenyl-prop-2-enoyl]amino]pentanedioic acid

Systemtic Name: 2-[[(E)-2-benzamido-3-phenyl-prop-2-enoyl]amino]pentanedioic acid Openeye Name: 2-[[(E)-2-benzamido-3-phenyl-prop-2-enoyl]amino]pentanedioic acid CAS Name: 2-[[(E)-2-benzamido-1-oxo-3-phenylprop-2-enyl]amino]pentanedioic acid IUPAC Name: 2-[[(E)-2-benzamido-3-phenylprop-2-enoyl]amino]pentanedioic acid Traditional Name: 2-[[(E)-2-benzamido-3-phenyl-acryloyl]amino]glutaric acid Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=C(C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)/C=C(\C(=O)NC(CCC(=O)O)C(=O)O)/NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H20N2O6/c24-18(25)12-11-16(21(28)29)22-20(27)17(13-14-7-3-1-4-8-14)23-19(26)15-9-5-2-6-10-15/h1-10,13,16H,11-12H2,(H,22,27)(H,23,26)(H,24,25)(H,28,29)/b17-13+