ethanoic acid; 3-[1-[2-(4-hydroxyphenyl)ethyl]-3-propyl-pyrrolidin-3-yl]phenol

Systemtic Name: ethanoic acid; 3-[1-[2-(4-hydroxyphenyl)ethyl]-3-propyl-pyrrolidin-3-yl]phenol Openeye Name: acetic acid; 3-[1-[2-(4-hydroxyphenyl)ethyl]-3-propyl-pyrrolidin-3-yl]phenol CAS Name: acetic acid; 3-[1-[2-(4-hydroxyphenyl)ethyl]-3-propyl-3-pyrrolidinyl]phenol IUPAC Name: acetic acid; 3-[1-[2-(4-hydroxyphenyl)ethyl]-3-propylpyrrolidin-3-yl]phenol Traditional Name: acetic acid; 3-[1-[2-(4-hydroxyphenyl)ethyl]-3-propyl-pyrrolidin-3-yl]phenol Formula: C25H35NO6 MolecularWeight: 445.5485

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(CCN(C1)CCC2=CC=C(C=C2)O)C3=CC(=CC=C3)O.CC(=O)O.CC(=O)O

Isomeric SMILES

CCCC1(CCN(C1)CCC2=CC=C(C=C2)O)C3=CC(=CC=C3)O.CC(=O)O.CC(=O)O

InChI

InChI=1S/C21H27NO2.2C2H4O2/c1-2-11-21(18-4-3-5-20(24)15-18)12-14-22(16-21)13-10-17-6-8-19(23)9-7-17;2*1-2(3)4/h3-9,15,23-24H,2,10-14,16H2,1H3;2*1H3,(H,3,4)