2-[[2-[4-(3-chlorophenyl)piperazin-1-yl]carbonylphenyl]carbamoyl]benzoic acid

Systemtic Name: 2-[[2-[4-(3-chlorophenyl)piperazin-1-yl]carbonylphenyl]carbamoyl]benzoic acid Openeye Name: 2-[[2-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]carbamoyl]benzoic acid CAS Name: 2-[[2-[[4-(3-chlorophenyl)-1-piperazinyl]-oxomethyl]anilino]-oxomethyl]benzoic acid IUPAC Name: 2-[[2-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]carbamoyl]benzoic acid Traditional Name: 2-[[2-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]carbamoyl]benzoic acid Formula: C25H22ClN3O4 MolecularWeight: 463.91288

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)C3=CC=CC=C3NC(=O)C4=CC=CC=C4C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)C3=CC=CC=C3NC(=O)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C25H22ClN3O4/c26-17-6-5-7-18(16-17)28-12-14-29(15-13-28)24(31)21-10-3-4-11-22(21)27-23(30)19-8-1-2-9-20(19)25(32)33/h1-11,16H,12-15H2,(H,27,30)(H,32,33)