3-(1,3-dipropylpyrrolidin-3-yl)phenol; ethanoic acid

Systemtic Name: 3-(1,3-dipropylpyrrolidin-3-yl)phenol; ethanoic acid Openeye Name: acetic acid; 3-(1,3-dipropylpyrrolidin-3-yl)phenol CAS Name: acetic acid; 3-(1,3-dipropyl-3-pyrrolidinyl)phenol IUPAC Name: acetic acid; 3-(1,3-dipropylpyrrolidin-3-yl)phenol Traditional Name: acetic acid; 3-(1,3-dipropylpyrrolidin-3-yl)phenol Formula: C18H29NO3 MolecularWeight: 307.42776

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(CCN(C1)CCC)C2=CC(=CC=C2)O.CC(=O)O

Isomeric SMILES

CCCC1(CCN(C1)CCC)C2=CC(=CC=C2)O.CC(=O)O

InChI

InChI=1S/C16H25NO.C2H4O2/c1-3-8-16(9-11-17(13-16)10-4-2)14-6-5-7-15(18)12-14;1-2(3)4/h5-7,12,18H,3-4,8-11,13H2,1-2H3;1H3,(H,3,4)