4-[(2,5-dimethylfuran-3-yl)carbonyl-methyl-amino]butanoic acid

Systemtic Name: 4-[(2,5-dimethylfuran-3-yl)carbonyl-methyl-amino]butanoic acid Openeye Name: 4-[(2,5-dimethylfuran-3-carbonyl)-methyl-amino]butanoic acid CAS Name: 4-[[(2,5-dimethyl-3-furanyl)-oxomethyl]-methylamino]butanoic acid IUPAC Name: 4-[(2,5-dimethylfuran-3-carbonyl)-methylamino]butanoic acid Traditional Name: 4-[(2,5-dimethyl-3-furoyl)-methyl-amino]butyric acid Formula: C12H17NO4 MolecularWeight: 239.26768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(O1)C)C(=O)N(C)CCCC(=O)O

Isomeric SMILES

CC1=CC(=C(O1)C)C(=O)N(C)CCCC(=O)O

InChI

InChI=1S/C12H17NO4/c1-8-7-10(9(2)17-8)12(16)13(3)6-4-5-11(14)15/h7H,4-6H2,1-3H3,(H,14,15)