3-[(2,5-dimethylfuran-3-yl)carbonyl-hexyl-amino]propanoate

Systemtic Name: 3-[(2,5-dimethylfuran-3-yl)carbonyl-hexyl-amino]propanoate Openeye Name: 3-[(2,5-dimethylfuran-3-carbonyl)-hexyl-amino]propanoate CAS Name: 3-[[(2,5-dimethyl-3-furanyl)-oxomethyl]-hexylamino]propanoate IUPAC Name: 3-[(2,5-dimethylfuran-3-carbonyl)-hexylamino]propanoate Traditional Name: 3-[(2,5-dimethyl-3-furoyl)-hexyl-amino]propionate Formula: C16H24NO4- MolecularWeight: 294.36606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCC(=O)[O-])C(=O)C1=C(OC(=C1)C)C

Isomeric SMILES

CCCCCCN(CCC(=O)[O-])C(=O)C1=C(OC(=C1)C)C

InChI

InChI=1S/C16H25NO4/c1-4-5-6-7-9-17(10-8-15(18)19)16(20)14-11-12(2)21-13(14)3/h11H,4-10H2,1-3H3,(H,18,19)/p-1