2-methylpropyl 5-(2-methylpropyl)furan-3-carboxylate

Systemtic Name: 2-methylpropyl 5-(2-methylpropyl)furan-3-carboxylate Openeye Name: isobutyl 5-isobutylfuran-3-carboxylate CAS Name: 5-(2-methylpropyl)-3-furancarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 5-(2-methylpropyl)furan-3-carboxylate Traditional Name: 5-isobutylfuran-3-carboxylic acid isobutyl ester Formula: C13H20O3 MolecularWeight: 224.2961

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC(=CO1)C(=O)OCC(C)C

Isomeric SMILES

CC(C)CC1=CC(=CO1)C(=O)OCC(C)C

InChI

InChI=1S/C13H20O3/c1-9(2)5-12-6-11(8-15-12)13(14)16-7-10(3)4/h6,8-10H,5,7H2,1-4H3