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

Systemtic Name: 3-[(2,5-dimethylfuran-3-yl)carbonyl-propan-2-yl-amino]propanoate Openeye Name: 3-[(2,5-dimethylfuran-3-carbonyl)-isopropyl-amino]propanoate CAS Name: 3-[[(2,5-dimethyl-3-furanyl)-oxomethyl]-propan-2-ylamino]propanoate IUPAC Name: 3-[(2,5-dimethylfuran-3-carbonyl)-propan-2-ylamino]propanoate Traditional Name: 3-[(2,5-dimethyl-3-furoyl)-isopropyl-amino]propionate Formula: C13H18NO4- MolecularWeight: 252.28632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(O1)C)C(=O)N(CCC(=O)[O-])C(C)C

Isomeric SMILES

CC1=CC(=C(O1)C)C(=O)N(CCC(=O)[O-])C(C)C

InChI

InChI=1S/C13H19NO4/c1-8(2)14(6-5-12(15)16)13(17)11-7-9(3)18-10(11)4/h7-8H,5-6H2,1-4H3,(H,15,16)/p-1