2-[3-[di(propan-2-yl)amino]-1-phenyl-propyl]-4-(6-oxidanylhexyl)phenol hydrochloride

Systemtic Name: 2-[3-[di(propan-2-yl)amino]-1-phenyl-propyl]-4-(6-oxidanylhexyl)phenol hydrochloride Openeye Name: 2-[3-(diisopropylamino)-1-phenyl-propyl]-4-(6-hydroxyhexyl)phenol hydrochloride CAS Name: 2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(6-hydroxyhexyl)phenol hydrochloride IUPAC Name: 2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(6-hydroxyhexyl)phenol hydrochloride Traditional Name: 2-[3-(diisopropylamino)-1-phenyl-propyl]-4-(6-hydroxyhexyl)phenol hydrochloride Formula: C27H42ClNO2 MolecularWeight: 448.08088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCC(C1=CC=CC=C1)C2=C(C=CC(=C2)CCCCCCO)O)C(C)C.Cl

Isomeric SMILES

CC(C)N(CCC(C1=CC=CC=C1)C2=C(C=CC(=C2)CCCCCCO)O)C(C)C.Cl

InChI

InChI=1S/C27H41NO2.ClH/c1-21(2)28(22(3)4)18-17-25(24-13-9-7-10-14-24)26-20-23(15-16-27(26)30)12-8-5-6-11-19-29;/h7,9-10,13-16,20-22,25,29-30H,5-6,8,11-12,17-19H2,1-4H3;1H