ethanoic acid; 3-(1-methyl-2,3-dipropyl-pyrrolidin-3-yl)phenol

Systemtic Name: ethanoic acid; 3-(1-methyl-2,3-dipropyl-pyrrolidin-3-yl)phenol Openeye Name: acetic acid; 3-(1-methyl-2,3-dipropyl-pyrrolidin-3-yl)phenol CAS Name: acetic acid; 3-(1-methyl-2,3-dipropyl-3-pyrrolidinyl)phenol IUPAC Name: acetic acid; 3-(1-methyl-2,3-dipropylpyrrolidin-3-yl)phenol Traditional Name: acetic acid; 3-(1-methyl-2,3-dipropyl-pyrrolidin-3-yl)phenol Formula: C19H31NO3 MolecularWeight: 321.45434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(CCN1C)(CCC)C2=CC(=CC=C2)O.CC(=O)O

Isomeric SMILES

CCCC1C(CCN1C)(CCC)C2=CC(=CC=C2)O.CC(=O)O

InChI

InChI=1S/C17H27NO.C2H4O2/c1-4-7-16-17(10-5-2,11-12-18(16)3)14-8-6-9-15(19)13-14;1-2(3)4/h6,8-9,13,16,19H,4-5,7,10-12H2,1-3H3;1H3,(H,3,4)