5-[[4-(3-methylbutyl)phenoxy]methyl]furan-2-carboxylic acid

Systemtic Name: 5-[[4-(3-methylbutyl)phenoxy]methyl]furan-2-carboxylic acid Openeye Name: 5-[(4-isopentylphenoxy)methyl]furan-2-carboxylic acid CAS Name: 5-[[4-(3-methylbutyl)phenoxy]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[4-(3-methylbutyl)phenoxy]methyl]furan-2-carboxylic acid Traditional Name: 5-[(4-isoamylphenoxy)methyl]-2-furoic acid Formula: C17H20O4 MolecularWeight: 288.3383

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)O

Isomeric SMILES

CC(C)CCC1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)O

InChI

InChI=1S/C17H20O4/c1-12(2)3-4-13-5-7-14(8-6-13)20-11-15-9-10-16(21-15)17(18)19/h5-10,12H,3-4,11H2,1-2H3,(H,18,19)