4-[2-(4-chlorophenyl)-2-oxidanylidene-1-piperazin-1-yl-ethyl]benzoic acid

Systemtic Name: 4-[2-(4-chlorophenyl)-2-oxidanylidene-1-piperazin-1-yl-ethyl]benzoic acid Openeye Name: 4-[2-(4-chlorophenyl)-2-oxo-1-piperazin-1-yl-ethyl]benzoic acid CAS Name: 4-[2-(4-chlorophenyl)-2-oxo-1-(1-piperazinyl)ethyl]benzoic acid IUPAC Name: 4-[2-(4-chlorophenyl)-2-oxo-1-piperazin-1-ylethyl]benzoic acid Traditional Name: 4-[2-(4-chlorophenyl)-2-keto-1-piperazino-ethyl]benzoic acid Formula: C19H19ClN2O3 MolecularWeight: 358.81876

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(C2=CC=C(C=C2)C(=O)O)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CCN1)C(C2=CC=C(C=C2)C(=O)O)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H19ClN2O3/c20-16-7-5-14(6-8-16)18(23)17(22-11-9-21-10-12-22)13-1-3-15(4-2-13)19(24)25/h1-8,17,21H,9-12H2,(H,24,25)