2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-furan-3-yl]carbonylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-furan-3-yl]carbonylamino]-3-methyl-butanoic acid Openeye Name: 2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-furan-3-carbonyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-3-furanyl]-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylfuran-3-carbonyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-3-furoyl]amino]-3-methyl-butyric acid Formula: C19H21NO6 MolecularWeight: 359.37314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C2=CC3=C(C=C2)OCCO3)C(=O)NC(C(C)C)C(=O)O

Isomeric SMILES

CC1=C(C=C(O1)C2=CC3=C(C=C2)OCCO3)C(=O)NC(C(C)C)C(=O)O

InChI

InChI=1S/C19H21NO6/c1-10(2)17(19(22)23)20-18(21)13-9-15(26-11(13)3)12-4-5-14-16(8-12)25-7-6-24-14/h4-5,8-10,17H,6-7H2,1-3H3,(H,20,21)(H,22,23)