2-[3-(phenylmethyl)piperidin-1-yl]hexanoic acid

Systemtic Name: 2-[3-(phenylmethyl)piperidin-1-yl]hexanoic acid Openeye Name: 2-(3-benzyl-1-piperidyl)hexanoic acid CAS Name: 2-[3-(phenylmethyl)-1-piperidinyl]hexanoic acid IUPAC Name: 2-(3-benzylpiperidin-1-yl)hexanoic acid Traditional Name: 2-(3-benzylpiperidino)hexanoic acid Formula: C18H27NO2 MolecularWeight: 289.41248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)N1CCCC(C1)CC2=CC=CC=C2

Isomeric SMILES

CCCCC(C(=O)O)N1CCCC(C1)CC2=CC=CC=C2

InChI

InChI=1S/C18H27NO2/c1-2-3-11-17(18(20)21)19-12-7-10-16(14-19)13-15-8-5-4-6-9-15/h4-6,8-9,16-17H,2-3,7,10-14H2,1H3,(H,20,21)