methyl 6-[4-[(4-butylphenyl)-phenyl-methoxy]piperidin-1-yl]hexanoate

Systemtic Name: methyl 6-[4-[(4-butylphenyl)-phenyl-methoxy]piperidin-1-yl]hexanoate Openeye Name: methyl 6-[4-[(4-butylphenyl)-phenyl-methoxy]-1-piperidyl]hexanoate CAS Name: 6-[4-[(4-butylphenyl)-phenylmethoxy]-1-piperidinyl]hexanoic acid methyl ester IUPAC Name: methyl 6-[4-[(4-butylphenyl)-phenylmethoxy]piperidin-1-yl]hexanoate Traditional Name: 6-[4-[(4-butylphenyl)-phenyl-methoxy]piperidino]hexanoic acid methyl ester Formula: C29H41NO3 MolecularWeight: 451.64074

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(C2=CC=CC=C2)OC3CCN(CC3)CCCCCC(=O)OC

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(C2=CC=CC=C2)OC3CCN(CC3)CCCCCC(=O)OC

InChI

InChI=1S/C29H41NO3/c1-3-4-11-24-15-17-26(18-16-24)29(25-12-7-5-8-13-25)33-27-19-22-30(23-20-27)21-10-6-9-14-28(31)32-2/h5,7-8,12-13,15-18,27,29H,3-4,6,9-11,14,19-23H2,1-2H3