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

Systemtic Name: 4-[4-[[2-(4-chlorophenyl)cyclohepten-1-yl]methyl]piperazin-1-yl]benzoic acid Openeye Name: 4-[4-[[2-(4-chlorophenyl)cyclohepten-1-yl]methyl]piperazin-1-yl]benzoic acid CAS Name: 4-[4-[[2-(4-chlorophenyl)-1-cycloheptenyl]methyl]-1-piperazinyl]benzoic acid IUPAC Name: 4-[4-[[2-(4-chlorophenyl)cyclohepten-1-yl]methyl]piperazin-1-yl]benzoic acid Traditional Name: 4-[4-[[2-(4-chlorophenyl)cyclohepten-1-yl]methyl]piperazino]benzoic acid Formula: C25H29ClN2O2 MolecularWeight: 424.96296

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=C(CC1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1CCC(=C(CC1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C25H29ClN2O2/c26-22-10-6-19(7-11-22)24-5-3-1-2-4-21(24)18-27-14-16-28(17-15-27)23-12-8-20(9-13-23)25(29)30/h6-13H,1-5,14-18H2,(H,29,30)