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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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