2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]benzoate

Systemtic Name: 2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]benzoate Openeye Name: 2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]benzoate CAS Name: 2-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]benzoate IUPAC Name: 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]benzoate Traditional Name: 2-[4-(5-chloro-2-methyl-phenyl)piperazino]benzoate Formula: C18H18ClN2O2- MolecularWeight: 329.80072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C3=CC=CC=C3C(=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C3=CC=CC=C3C(=O)[O-]

InChI

InChI=1S/C18H19ClN2O2/c1-13-6-7-14(19)12-17(13)21-10-8-20(9-11-21)16-5-3-2-4-15(16)18(22)23/h2-7,12H,8-11H2,1H3,(H,22,23)/p-1