3-[(2-chlorophenyl)carbonylamino]-4-(4-ethanoylpiperazin-1-yl)benzoic acid

Systemtic Name: 3-[(2-chlorophenyl)carbonylamino]-4-(4-ethanoylpiperazin-1-yl)benzoic acid Openeye Name: 4-(4-acetylpiperazin-1-yl)-3-[(2-chlorobenzoyl)amino]benzoic acid CAS Name: 4-(4-acetyl-1-piperazinyl)-3-[[(2-chlorophenyl)-oxomethyl]amino]benzoic acid IUPAC Name: 4-(4-acetylpiperazin-1-yl)-3-[(2-chlorobenzoyl)amino]benzoic acid Traditional Name: 4-(4-acetylpiperazino)-3-[(2-chlorobenzoyl)amino]benzoic acid Formula: C20H20ClN3O4 MolecularWeight: 401.8435

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)NC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)NC(=O)C3=CC=CC=C3Cl

InChI

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