4-[[(2E,4E)-5-(4-dimethylaminophenyl)-2-ethanoyl-penta-2,4-dienoyl]amino]benzoic acid

Systemtic Name: 4-[[(2E,4E)-5-(4-dimethylaminophenyl)-2-ethanoyl-penta-2,4-dienoyl]amino]benzoic acid Openeye Name: 4-[[(2E,4E)-2-acetyl-5-(4-dimethylaminophenyl)penta-2,4-dienoyl]amino]benzoic acid CAS Name: 4-[[(2E,4E)-2-acetyl-5-(4-dimethylaminophenyl)-1-oxopenta-2,4-dienyl]amino]benzoic acid IUPAC Name: 4-[[(2E,4E)-2-acetyl-5-(4-dimethylaminophenyl)penta-2,4-dienoyl]amino]benzoic acid Traditional Name: 4-[[(2E,4E)-2-acetyl-5-(4-dimethylaminophenyl)penta-2,4-dienoyl]amino]benzoic acid Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC=CC1=CC=C(C=C1)N(C)C)C(=O)NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC(=O)/C(=C\C=C\C1=CC=C(C=C1)N(C)C)/C(=O)NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C22H22N2O4/c1-15(25)20(6-4-5-16-7-13-19(14-8-16)24(2)3)21(26)23-18-11-9-17(10-12-18)22(27)28/h4-14H,1-3H3,(H,23,26)(H,27,28)/b5-4+,20-6+