ethanoic acid; 3-[1-(1-methylpyrrolidin-3-yl)butyl]phenol

Systemtic Name: ethanoic acid; 3-[1-(1-methylpyrrolidin-3-yl)butyl]phenol Openeye Name: acetic acid; 3-[1-(1-methylpyrrolidin-3-yl)butyl]phenol CAS Name: acetic acid; 3-[1-(1-methyl-3-pyrrolidinyl)butyl]phenol IUPAC Name: acetic acid; 3-[1-(1-methylpyrrolidin-3-yl)butyl]phenol Traditional Name: acetic acid; 3-[1-(1-methylpyrrolidin-3-yl)butyl]phenol Formula: C17H27NO3 MolecularWeight: 293.40118

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1CCN(C1)C)C2=CC(=CC=C2)O.CC(=O)O

Isomeric SMILES

CCCC(C1CCN(C1)C)C2=CC(=CC=C2)O.CC(=O)O

InChI

InChI=1S/C15H23NO.C2H4O2/c1-3-5-15(13-8-9-16(2)11-13)12-6-4-7-14(17)10-12;1-2(3)4/h4,6-7,10,13,15,17H,3,5,8-9,11H2,1-2H3;1H3,(H,3,4)