3-[3-butan-2-yl-1-[2-(4-hydroxyphenyl)ethyl]pyrrolidin-3-yl]phenol hydrate hydrochloride

Systemtic Name: 3-[3-butan-2-yl-1-[2-(4-hydroxyphenyl)ethyl]pyrrolidin-3-yl]phenol hydrate hydrochloride Openeye Name: 3-[1-[2-(4-hydroxyphenyl)ethyl]-3-sec-butyl-pyrrolidin-3-yl]phenol hydrate hydrochloride CAS Name: 3-[3-butan-2-yl-1-[2-(4-hydroxyphenyl)ethyl]-3-pyrrolidinyl]phenol hydrate hydrochloride IUPAC Name: 3-[3-butan-2-yl-1-[2-(4-hydroxyphenyl)ethyl]pyrrolidin-3-yl]phenol hydrate hydrochloride Traditional Name: 3-[1-[2-(4-hydroxyphenyl)ethyl]-3-sec-butyl-pyrrolidin-3-yl]phenol hydrate hydrochloride Formula: C22H32ClNO3 MolecularWeight: 393.94738

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1(CCN(C1)CCC2=CC=C(C=C2)O)C3=CC(=CC=C3)O.O.Cl

Isomeric SMILES

CCC(C)C1(CCN(C1)CCC2=CC=C(C=C2)O)C3=CC(=CC=C3)O.O.Cl

InChI

InChI=1S/C22H29NO2.ClH.H2O/c1-3-17(2)22(19-5-4-6-21(25)15-19)12-14-23(16-22)13-11-18-7-9-20(24)10-8-18;;/h4-10,15,17,24-25H,3,11-14,16H2,1-2H3;1H;1H2