methyl 8-[4-[(4-methylphenyl)-phenyl-methoxy]piperidin-1-yl]octanoate

Systemtic Name: methyl 8-[4-[(4-methylphenyl)-phenyl-methoxy]piperidin-1-yl]octanoate Openeye Name: methyl 8-[4-[phenyl(p-tolyl)methoxy]-1-piperidyl]octanoate CAS Name: 8-[4-[(4-methylphenyl)-phenylmethoxy]-1-piperidinyl]octanoic acid methyl ester IUPAC Name: methyl 8-[4-[(4-methylphenyl)-phenylmethoxy]piperidin-1-yl]octanoate Traditional Name: 8-[4-[phenyl(p-tolyl)methoxy]piperidino]caprylic acid methyl ester Formula: C28H39NO3 MolecularWeight: 437.61416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H39NO3/c1-23-14-16-25(17-15-23)28(24-11-7-6-8-12-24)32-26-18-21-29(22-19-26)20-10-5-3-4-9-13-27(30)31-2/h6-8,11-12,14-17,26,28H,3-5,9-10,13,18-22H2,1-2H3