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

Systemtic Name: 2-[[(E)-2-benzamido-3-(4-dimethylaminophenyl)prop-2-enoyl]amino]benzoic acid Openeye Name: 2-[[(E)-2-benzamido-3-(4-dimethylaminophenyl)prop-2-enoyl]amino]benzoic acid CAS Name: 2-[[(E)-2-benzamido-3-(4-dimethylaminophenyl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 2-[[(E)-2-benzamido-3-(4-dimethylaminophenyl)prop-2-enoyl]amino]benzoic acid Traditional Name: 2-[[(E)-2-benzamido-3-(4-dimethylaminophenyl)acryloyl]amino]benzoic acid Formula: C25H23N3O4 MolecularWeight: 429.46782

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C=C(C(=O)NC2=CC=CC=C2C(=O)O)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)/C=C(\C(=O)NC2=CC=CC=C2C(=O)O)/NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H23N3O4/c1-28(2)19-14-12-17(13-15-19)16-22(27-23(29)18-8-4-3-5-9-18)24(30)26-21-11-7-6-10-20(21)25(31)32/h3-16H,1-2H3,(H,26,30)(H,27,29)(H,31,32)/b22-16+