3-[4-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]phenyl]propanoic acid

Systemtic Name: 3-[4-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]phenyl]propanoic acid Openeye Name: 3-[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]propanoic acid CAS Name: 3-[4-[4-[(4-chlorophenyl)-oxomethyl]-1-piperazinyl]phenyl]propanoic acid IUPAC Name: 3-[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]propanoic acid Traditional Name: 3-[4-[4-(4-chlorobenzoyl)piperazino]phenyl]propionic acid Formula: C20H21ClN2O3 MolecularWeight: 372.84534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN2O3/c21-17-6-4-16(5-7-17)20(26)23-13-11-22(12-14-23)18-8-1-15(2-9-18)3-10-19(24)25/h1-2,4-9H,3,10-14H2,(H,24,25)