3-(1,2-dimethyl-3-propyl-pyrrolidin-3-yl)phenol; ethanoic acid

Systemtic Name: 3-(1,2-dimethyl-3-propyl-pyrrolidin-3-yl)phenol; ethanoic acid Openeye Name: acetic acid; 3-(1,2-dimethyl-3-propyl-pyrrolidin-3-yl)phenol CAS Name: acetic acid; 3-(1,2-dimethyl-3-propyl-3-pyrrolidinyl)phenol IUPAC Name: acetic acid; 3-(1,2-dimethyl-3-propylpyrrolidin-3-yl)phenol Traditional Name: acetic acid; 3-(1,2-dimethyl-3-propyl-pyrrolidin-3-yl)phenol Formula: C17H27NO3 MolecularWeight: 293.40118

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(CCN(C1C)C)C2=CC(=CC=C2)O.CC(=O)O

Isomeric SMILES

CCCC1(CCN(C1C)C)C2=CC(=CC=C2)O.CC(=O)O

InChI

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