2-[4-[[2-(4-butylphenyl)phenyl]methoxy]piperidin-1-yl]propanoate hydrochloride

Systemtic Name: 2-[4-[[2-(4-butylphenyl)phenyl]methoxy]piperidin-1-yl]propanoate hydrochloride Openeye Name: 2-[4-[[2-(4-butylphenyl)phenyl]methoxy]-1-piperidyl]propanoate hydrochloride CAS Name: 2-[4-[[2-(4-butylphenyl)phenyl]methoxy]-1-piperidinyl]propanoate hydrochloride IUPAC Name: 2-[4-[[2-(4-butylphenyl)phenyl]methoxy]piperidin-1-yl]propanoate hydrochloride Traditional Name: 2-[4-[2-(4-butylphenyl)benzyl]oxypiperidino]propionate hydrochloride Formula: C25H33ClNO3- MolecularWeight: 430.98742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=CC=CC=C2COC3CCN(CC3)C(C)C(=O)[O-].Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=CC=CC=C2COC3CCN(CC3)C(C)C(=O)[O-].Cl

InChI

InChI=1S/C25H33NO3.ClH/c1-3-4-7-20-10-12-21(13-11-20)24-9-6-5-8-22(24)18-29-23-14-16-26(17-15-23)19(2)25(27)28;/h5-6,8-13,19,23H,3-4,7,14-18H2,1-2H3,(H,27,28);1H/p-1