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

Systemtic Name: 2-[[(E)-2-benzamido-3-(4-dimethylaminophenyl)prop-2-enoyl]amino]butanedioic acid Openeye Name: 2-[[(E)-2-benzamido-3-(4-dimethylaminophenyl)prop-2-enoyl]amino]butanedioic acid CAS Name: 2-[[(E)-2-benzamido-3-(4-dimethylaminophenyl)-1-oxoprop-2-enyl]amino]butanedioic acid IUPAC Name: 2-[[(E)-2-benzamido-3-(4-dimethylaminophenyl)prop-2-enoyl]amino]butanedioic acid Traditional Name: 2-[[(E)-2-benzamido-3-(4-dimethylaminophenyl)acryloyl]amino]succinic acid Formula: C22H23N3O6 MolecularWeight: 425.43452

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C22H23N3O6/c1-25(2)16-10-8-14(9-11-16)12-17(23-20(28)15-6-4-3-5-7-15)21(29)24-18(22(30)31)13-19(26)27/h3-12,18H,13H2,1-2H3,(H,23,28)(H,24,29)(H,26,27)(H,30,31)/b17-12+