8-[4-[(4-methylphenyl)-phenyl-methoxy]piperidin-1-yl]octanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CC=C2)OC3CCN(CC3)CCCCCCCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=CC=CC=C2)OC3CCN(CC3)CCCCCCCC(=O)O

InChI

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