2-[[(E)-2-benzamido-3-(4-dimethylaminophenyl)prop-2-enoyl]amino]pentanedioic acid

Systemtic Name: 2-[[(E)-2-benzamido-3-(4-dimethylaminophenyl)prop-2-enoyl]amino]pentanedioic acid Openeye Name: 2-[[(E)-2-benzamido-3-(4-dimethylaminophenyl)prop-2-enoyl]amino]pentanedioic acid CAS Name: 2-[[(E)-2-benzamido-3-(4-dimethylaminophenyl)-1-oxoprop-2-enyl]amino]pentanedioic acid IUPAC Name: 2-[[(E)-2-benzamido-3-(4-dimethylaminophenyl)prop-2-enoyl]amino]pentanedioic acid Traditional Name: 2-[[(E)-2-benzamido-3-(4-dimethylaminophenyl)acryloyl]amino]glutaric acid Formula: C23H25N3O6 MolecularWeight: 439.4611

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CN(C)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/C23H25N3O6/c1-26(2)17-10-8-15(9-11-17)14-19(25-21(29)16-6-4-3-5-7-16)22(30)24-18(23(31)32)12-13-20(27)28/h3-11,14,18H,12-13H2,1-2H3,(H,24,30)(H,25,29)(H,27,28)(H,31,32)/b19-14+