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

Systemtic Name: 3-[4-(2,4-dichlorophenyl)carbonylpiperazin-1-yl]benzoic acid Openeye Name: 3-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]benzoic acid CAS Name: 3-[4-[(2,4-dichlorophenyl)-oxomethyl]-1-piperazinyl]benzoic acid IUPAC Name: 3-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]benzoic acid Traditional Name: 3-[4-(2,4-dichlorobenzoyl)piperazino]benzoic acid Formula: C18H16Cl2N2O3 MolecularWeight: 379.23724

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC(=C2)C(=O)O)C(=O)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC(=C2)C(=O)O)C(=O)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C18H16Cl2N2O3/c19-13-4-5-15(16(20)11-13)17(23)22-8-6-21(7-9-22)14-3-1-2-12(10-14)18(24)25/h1-5,10-11H,6-9H2,(H,24,25)