4-[4-[4-(4-cyclohexylphenyl)piperazin-1-yl]piperidin-1-yl]benzoic acid

Systemtic Name: 4-[4-[4-(4-cyclohexylphenyl)piperazin-1-yl]piperidin-1-yl]benzoic acid Openeye Name: 4-[4-[4-(4-cyclohexylphenyl)piperazin-1-yl]-1-piperidyl]benzoic acid CAS Name: 4-[4-[4-(4-cyclohexylphenyl)-1-piperazinyl]-1-piperidinyl]benzoic acid IUPAC Name: 4-[4-[4-(4-cyclohexylphenyl)piperazin-1-yl]piperidin-1-yl]benzoic acid Traditional Name: 4-[4-[4-(4-cyclohexylphenyl)piperazino]piperidino]benzoic acid Formula: C28H37N3O2 MolecularWeight: 447.61228

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)N3CCN(CC3)C4CCN(CC4)C5=CC=C(C=C5)C(=O)O

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)N3CCN(CC3)C4CCN(CC4)C5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C28H37N3O2/c32-28(33)24-8-12-25(13-9-24)29-16-14-27(15-17-29)31-20-18-30(19-21-31)26-10-6-23(7-11-26)22-4-2-1-3-5-22/h6-13,22,27H,1-5,14-21H2,(H,32,33)