3-methoxy-5-(3-methyloctan-2-yl)-2-[1-(phenylmethyl)-3,6-dihydro-2H-pyridin-4-yl]phenol hydrochloride

Systemtic Name: 3-methoxy-5-(3-methyloctan-2-yl)-2-[1-(phenylmethyl)-3,6-dihydro-2H-pyridin-4-yl]phenol hydrochloride Openeye Name: 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-(1,2-dimethylheptyl)-3-methoxy-phenol hydrochloride CAS Name: 3-methoxy-5-(3-methyloctan-2-yl)-2-[1-(phenylmethyl)-3,6-dihydro-2H-pyridin-4-yl]phenol hydrochloride IUPAC Name: 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-3-methoxy-5-(3-methyloctan-2-yl)phenol hydrochloride Traditional Name: 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-(1,2-dimethylheptyl)-3-methoxy-phenol hydrochloride Formula: C28H40ClNO2 MolecularWeight: 458.0757

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)C(C)C1=CC(=C(C(=C1)OC)C2=CCN(CC2)CC3=CC=CC=C3)O.Cl

Isomeric SMILES

CCCCCC(C)C(C)C1=CC(=C(C(=C1)OC)C2=CCN(CC2)CC3=CC=CC=C3)O.Cl

InChI

InChI=1S/C28H39NO2.ClH/c1-5-6-8-11-21(2)22(3)25-18-26(30)28(27(19-25)31-4)24-14-16-29(17-15-24)20-23-12-9-7-10-13-23;/h7,9-10,12-14,18-19,21-22,30H,5-6,8,11,15-17,20H2,1-4H3;1H