(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl (2S)-2-(furan-2-ylcarbonylamino)-3-methyl-butanoate

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl (2S)-2-(furan-2-ylcarbonylamino)-3-methyl-butanoate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl (2S)-2-(furan-2-carbonylamino)-3-methyl-butanoate CAS Name: (2S)-2-[[2-furanyl(oxo)methyl]amino]-3-methylbutanoic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate Traditional Name: (2S)-2-(2-furoylamino)-3-methyl-butyric acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C19H20ClNO6 MolecularWeight: 393.8182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=C2C(=CC(=C1)Cl)COCO2)NC(=O)C3=CC=CO3

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=C2C(=CC(=C1)Cl)COCO2)NC(=O)C3=CC=CO3

InChI

InChI=1S/C19H20ClNO6/c1-11(2)16(21-18(22)15-4-3-5-25-15)19(23)26-9-13-7-14(20)6-12-8-24-10-27-17(12)13/h3-7,11,16H,8-10H2,1-2H3,(H,21,22)/t16-/m0/s1