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

Systemtic Name: (2R)-2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-furan-3-yl]carbonylamino]pentanedioate Openeye Name: (2R)-2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-furan-3-carbonyl]amino]pentanedioate CAS Name: (2R)-2-[[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-3-furanyl]-oxomethyl]amino]pentanedioate IUPAC Name: (2R)-2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylfuran-3-carbonyl]amino]pentanedioate Traditional Name: (2R)-2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-3-furoyl]amino]glutarate Formula: C19H17NO8-2 MolecularWeight: 387.34018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C2=CC3=C(C=C2)OCCO3)C(=O)NC(CCC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC1=C(C=C(O1)C2=CC3=C(C=C2)OCCO3)C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C19H19NO8/c1-10-12(18(23)20-13(19(24)25)3-5-17(21)22)9-15(28-10)11-2-4-14-16(8-11)27-7-6-26-14/h2,4,8-9,13H,3,5-7H2,1H3,(H,20,23)(H,21,22)(H,24,25)/p-2/t13-/m1/s1