3-[4-(2,4-dichlorophenyl)carbonylpiperazin-1-yl]carbonylbenzoic acid

Systemtic Name: 3-[4-(2,4-dichlorophenyl)carbonylpiperazin-1-yl]carbonylbenzoic acid Openeye Name: 3-[4-(2,4-dichlorobenzoyl)piperazine-1-carbonyl]benzoic acid CAS Name: 3-[[4-[(2,4-dichlorophenyl)-oxomethyl]-1-piperazinyl]-oxomethyl]benzoic acid IUPAC Name: 3-[4-(2,4-dichlorobenzoyl)piperazine-1-carbonyl]benzoic acid Traditional Name: 3-[4-(2,4-dichlorobenzoyl)piperazine-1-carbonyl]benzoic acid Formula: C19H16Cl2N2O4 MolecularWeight: 407.24734

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC(=CC=C2)C(=O)O)C(=O)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC(=CC=C2)C(=O)O)C(=O)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C19H16Cl2N2O4/c20-14-4-5-15(16(21)11-14)18(25)23-8-6-22(7-9-23)17(24)12-2-1-3-13(10-12)19(26)27/h1-5,10-11H,6-9H2,(H,26,27)