2-[4-(cyclohexylmethyl)piperazin-1-yl]benzoic acid

Systemtic Name: 2-[4-(cyclohexylmethyl)piperazin-1-yl]benzoic acid Openeye Name: 2-[4-(cyclohexylmethyl)piperazin-1-yl]benzoic acid CAS Name: 2-[4-(cyclohexylmethyl)-1-piperazinyl]benzoic acid IUPAC Name: 2-[4-(cyclohexylmethyl)piperazin-1-yl]benzoic acid Traditional Name: 2-[4-(cyclohexylmethyl)piperazino]benzoic acid Formula: C18H26N2O2 MolecularWeight: 302.41124

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN2CCN(CC2)C3=CC=CC=C3C(=O)O

Isomeric SMILES

C1CCC(CC1)CN2CCN(CC2)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C18H26N2O2/c21-18(22)16-8-4-5-9-17(16)20-12-10-19(11-13-20)14-15-6-2-1-3-7-15/h4-5,8-9,15H,1-3,6-7,10-14H2,(H,21,22)