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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])N1CCC(CC1)OCC2=CC=CC=C2C3=CC=C(C=C3)C(C)(C)C.Cl

Isomeric SMILES

CC(C(=O)[O-])N1CCC(CC1)OCC2=CC=CC=C2C3=CC=C(C=C3)C(C)(C)C.Cl

InChI

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