2-[4-[(1R,2S)-2-methylcyclohexyl]piperazin-1-yl]benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1N2CCN(CC2)C3=CC=CC=C3C(=O)O

Isomeric SMILES

C[C@H]1CCCC[C@H]1N2CCN(CC2)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C18H26N2O2/c1-14-6-2-4-8-16(14)19-10-12-20(13-11-19)17-9-5-3-7-15(17)18(21)22/h3,5,7,9,14,16H,2,4,6,8,10-13H2,1H3,(H,21,22)/t14-,16+/m0/s1