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

Systemtic Name: 4-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]benzoic acid Openeye Name: 4-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]benzoic acid CAS Name: 4-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]benzoic acid IUPAC Name: 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]benzoic acid Traditional Name: 4-[4-(5-chloro-2-methyl-phenyl)piperazino]benzoic acid Formula: C18H19ClN2O2 MolecularWeight: 330.80866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C3=CC=C(C=C3)C(=O)O

InChI

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