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

Systemtic Name: 3-[1-[2-(4-hydroxyphenyl)ethyl]-3-propan-2-yl-pyrrolidin-3-yl]phenol hydrate hydrochloride Openeye Name: 3-[1-[2-(4-hydroxyphenyl)ethyl]-3-isopropyl-pyrrolidin-3-yl]phenol hydrate hydrochloride CAS Name: 3-[1-[2-(4-hydroxyphenyl)ethyl]-3-propan-2-yl-3-pyrrolidinyl]phenol hydrate hydrochloride IUPAC Name: 3-[1-[2-(4-hydroxyphenyl)ethyl]-3-propan-2-ylpyrrolidin-3-yl]phenol hydrate hydrochloride Traditional Name: 3-[1-[2-(4-hydroxyphenyl)ethyl]-3-isopropyl-pyrrolidin-3-yl]phenol hydrate hydrochloride Formula: C21H30ClNO3 MolecularWeight: 379.9208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO2.ClH.H2O/c1-16(2)21(18-4-3-5-20(24)14-18)11-13-22(15-21)12-10-17-6-8-19(23)9-7-17;;/h3-9,14,16,23-24H,10-13,15H2,1-2H3;1H;1H2