5-[(3-chlorophenyl)carbonylamino]-2-[4-(4-ethanoylphenyl)piperazin-1-yl]benzoic acid

Systemtic Name: 5-[(3-chlorophenyl)carbonylamino]-2-[4-(4-ethanoylphenyl)piperazin-1-yl]benzoic acid Openeye Name: 2-[4-(4-acetylphenyl)piperazin-1-yl]-5-[(3-chlorobenzoyl)amino]benzoic acid CAS Name: 2-[4-(4-acetylphenyl)-1-piperazinyl]-5-[[(3-chlorophenyl)-oxomethyl]amino]benzoic acid IUPAC Name: 2-[4-(4-acetylphenyl)piperazin-1-yl]-5-[(3-chlorobenzoyl)amino]benzoic acid Traditional Name: 2-[4-(4-acetylphenyl)piperazino]-5-[(3-chlorobenzoyl)amino]benzoic acid Formula: C26H24ClN3O4 MolecularWeight: 477.93946

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)C4=CC(=CC=C4)Cl)C(=O)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)C4=CC(=CC=C4)Cl)C(=O)O

InChI

InChI=1S/C26H24ClN3O4/c1-17(31)18-5-8-22(9-6-18)29-11-13-30(14-12-29)24-10-7-21(16-23(24)26(33)34)28-25(32)19-3-2-4-20(27)15-19/h2-10,15-16H,11-14H2,1H3,(H,28,32)(H,33,34)