8-[2-(4-methylphenyl)-2-phenylmethoxy-piperidin-1-yl]octanoic acid

Systemtic Name: 8-[2-(4-methylphenyl)-2-phenylmethoxy-piperidin-1-yl]octanoic acid Openeye Name: 8-[2-benzyloxy-2-(p-tolyl)-1-piperidyl]octanoic acid CAS Name: 8-[2-(4-methylphenyl)-2-phenylmethoxy-1-piperidinyl]octanoic acid IUPAC Name: 8-[2-(4-methylphenyl)-2-phenylmethoxypiperidin-1-yl]octanoic acid Traditional Name: 8-[2-benzoxy-2-(p-tolyl)piperidino]caprylic acid Formula: C27H37NO3 MolecularWeight: 423.58758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2(CCCCN2CCCCCCCC(=O)O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2(CCCCN2CCCCCCCC(=O)O)OCC3=CC=CC=C3

InChI

InChI=1S/C27H37NO3/c1-23-15-17-25(18-16-23)27(31-22-24-12-6-5-7-13-24)19-9-11-21-28(27)20-10-4-2-3-8-14-26(29)30/h5-7,12-13,15-18H,2-4,8-11,14,19-22H2,1H3,(H,29,30)