3-(3-butyl-1-methyl-pyrrolidin-3-yl)phenol; ethanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CCN(C1)C)C2=CC(=CC=C2)O.CC(=O)O

Isomeric SMILES

CCCCC1(CCN(C1)C)C2=CC(=CC=C2)O.CC(=O)O

InChI

InChI=1S/C15H23NO.C2H4O2/c1-3-4-8-15(9-10-16(2)12-15)13-6-5-7-14(17)11-13;1-2(3)4/h5-7,11,17H,3-4,8-10,12H2,1-2H3;1H3,(H,3,4)