5-[(4-bromophenyl)carbonylamino]-2-(4-ethanoylpiperazin-1-yl)benzoic acid

Systemtic Name: 5-[(4-bromophenyl)carbonylamino]-2-(4-ethanoylpiperazin-1-yl)benzoic acid Openeye Name: 2-(4-acetylpiperazin-1-yl)-5-[(4-bromobenzoyl)amino]benzoic acid CAS Name: 2-(4-acetyl-1-piperazinyl)-5-[[(4-bromophenyl)-oxomethyl]amino]benzoic acid IUPAC Name: 2-(4-acetylpiperazin-1-yl)-5-[(4-bromobenzoyl)amino]benzoic acid Traditional Name: 2-(4-acetylpiperazino)-5-[(4-bromobenzoyl)amino]benzoic acid Formula: C20H20BrN3O4 MolecularWeight: 446.2945

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrN3O4/c1-13(25)23-8-10-24(11-9-23)18-7-6-16(12-17(18)20(27)28)22-19(26)14-2-4-15(21)5-3-14/h2-7,12H,8-11H2,1H3,(H,22,26)(H,27,28)