4-[(diethylazaniumyl)methyl]-5-(2-methylpropyl)furan-2-carboxylate

Systemtic Name: 4-[(diethylazaniumyl)methyl]-5-(2-methylpropyl)furan-2-carboxylate Openeye Name: 4-[(diethylammonio)methyl]-5-isobutyl-furan-2-carboxylate CAS Name: 4-[(diethylammonio)methyl]-5-(2-methylpropyl)-2-furancarboxylate IUPAC Name: 4-[(diethylazaniumyl)methyl]-5-(2-methylpropyl)furan-2-carboxylate Traditional Name: 4-[(diethylammonio)methyl]-5-isobutyl-2-furoate Formula: C14H23NO3 MolecularWeight: 253.33732

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=C(OC(=C1)C(=O)[O-])CC(C)C

Isomeric SMILES

CC[NH+](CC)CC1=C(OC(=C1)C(=O)[O-])CC(C)C

InChI

InChI=1S/C14H23NO3/c1-5-15(6-2)9-11-8-13(14(16)17)18-12(11)7-10(3)4/h8,10H,5-7,9H2,1-4H3,(H,16,17)