2-methylpropanoic acid; 3-(1-methyl-3-propyl-pyrrolidin-3-yl)phenol

Systemtic Name: 2-methylpropanoic acid; 3-(1-methyl-3-propyl-pyrrolidin-3-yl)phenol Openeye Name: 2-methylpropanoic acid; 3-(1-methyl-3-propyl-pyrrolidin-3-yl)phenol CAS Name: 2-methylpropanoic acid; 3-(1-methyl-3-propyl-3-pyrrolidinyl)phenol IUPAC Name: 2-methylpropanoic acid; 3-(1-methyl-3-propylpyrrolidin-3-yl)phenol Traditional Name: isobutyric acid; 3-(1-methyl-3-propyl-pyrrolidin-3-yl)phenol Formula: C18H29NO3 MolecularWeight: 307.42776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21NO.C4H8O2/c1-3-7-14(8-9-15(2)11-14)12-5-4-6-13(16)10-12;1-3(2)4(5)6/h4-6,10,16H,3,7-9,11H2,1-2H3;3H,1-2H3,(H,5,6)