3-[(3-chlorophenyl)carbonylamino]-4-(4-ethanoylpiperazin-1-yl)benzoic acid

Systemtic Name: 3-[(3-chlorophenyl)carbonylamino]-4-(4-ethanoylpiperazin-1-yl)benzoic acid Openeye Name: 4-(4-acetylpiperazin-1-yl)-3-[(3-chlorobenzoyl)amino]benzoic acid CAS Name: 4-(4-acetyl-1-piperazinyl)-3-[[(3-chlorophenyl)-oxomethyl]amino]benzoic acid IUPAC Name: 4-(4-acetylpiperazin-1-yl)-3-[(3-chlorobenzoyl)amino]benzoic acid Traditional Name: 4-(4-acetylpiperazino)-3-[(3-chlorobenzoyl)amino]benzoic acid Formula: C20H20ClN3O4 MolecularWeight: 401.8435

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)NC(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)NC(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H20ClN3O4/c1-13(25)23-7-9-24(10-8-23)18-6-5-15(20(27)28)12-17(18)22-19(26)14-3-2-4-16(21)11-14/h2-6,11-12H,7-10H2,1H3,(H,22,26)(H,27,28)