4-(4-chlorophenyl)-4-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]butanoic acid

Systemtic Name: 4-(4-chlorophenyl)-4-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]butanoic acid Openeye Name: 2-(4-benzylpiperazin-1-yl)-4-(4-chlorophenyl)-4-oxo-butanoic acid CAS Name: 4-(4-chlorophenyl)-4-oxo-2-[4-(phenylmethyl)-1-piperazinyl]butanoic acid IUPAC Name: 2-(4-benzylpiperazin-1-yl)-4-(4-chlorophenyl)-4-oxobutanoic acid Traditional Name: 2-(4-benzylpiperazino)-4-(4-chlorophenyl)-4-keto-butyric acid Formula: C21H23ClN2O3 MolecularWeight: 386.87192

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(CC(=O)C3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(CC(=O)C3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C21H23ClN2O3/c22-18-8-6-17(7-9-18)20(25)14-19(21(26)27)24-12-10-23(11-13-24)15-16-4-2-1-3-5-16/h1-9,19H,10-15H2,(H,26,27)