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

Systemtic Name: 3-[4-(3,4-dichlorophenyl)carbonylpiperazin-1-yl]propanoic acid Openeye Name: 3-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]propanoic acid CAS Name: 3-[4-[(3,4-dichlorophenyl)-oxomethyl]-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]propanoic acid Traditional Name: 3-[4-(3,4-dichlorobenzoyl)piperazino]propionic acid Formula: C14H16Cl2N2O3 MolecularWeight: 331.19444

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)O)C(=O)C2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

C1CN(CCN1CCC(=O)O)C(=O)C2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C14H16Cl2N2O3/c15-11-2-1-10(9-12(11)16)14(21)18-7-5-17(6-8-18)4-3-13(19)20/h1-2,9H,3-8H2,(H,19,20)