3-[(4-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]benzoic acid

Systemtic Name: 3-[(4-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]benzoic acid Openeye Name: 3-[(4-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]benzoic acid CAS Name: 3-[(4-chlorophenyl)-(4-methyl-1-piperazinyl)methyl]benzoic acid IUPAC Name: 3-[(4-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]benzoic acid Traditional Name: 3-[(4-chlorophenyl)-(4-methylpiperazino)methyl]benzoic acid Formula: C19H21ClN2O2 MolecularWeight: 344.83524

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(C2=CC=C(C=C2)Cl)C3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CN1CCN(CC1)C(C2=CC=C(C=C2)Cl)C3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C19H21ClN2O2/c1-21-9-11-22(12-10-21)18(14-5-7-17(20)8-6-14)15-3-2-4-16(13-15)19(23)24/h2-8,13,18H,9-12H2,1H3,(H,23,24)