4-[4-[[2-(4-chlorophenyl)cyclohexen-1-yl]methyl]piperazin-1-yl]benzoic acid

Systemtic Name: 4-[4-[[2-(4-chlorophenyl)cyclohexen-1-yl]methyl]piperazin-1-yl]benzoic acid Openeye Name: 4-[4-[[2-(4-chlorophenyl)cyclohexen-1-yl]methyl]piperazin-1-yl]benzoic acid CAS Name: 4-[4-[[2-(4-chlorophenyl)-1-cyclohexenyl]methyl]-1-piperazinyl]benzoic acid IUPAC Name: 4-[4-[[2-(4-chlorophenyl)cyclohexen-1-yl]methyl]piperazin-1-yl]benzoic acid Traditional Name: 4-[4-[[2-(4-chlorophenyl)cyclohexen-1-yl]methyl]piperazino]benzoic acid Formula: C24H27ClN2O2 MolecularWeight: 410.93638

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H27ClN2O2/c25-21-9-5-18(6-10-21)23-4-2-1-3-20(23)17-26-13-15-27(16-14-26)22-11-7-19(8-12-22)24(28)29/h5-12H,1-4,13-17H2,(H,28,29)