(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-(furan-2-ylcarbonylamino)-3-methyl-butanoate

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-(furan-2-ylcarbonylamino)-3-methyl-butanoate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl 2-(furan-2-carbonylamino)-3-methyl-butanoate CAS Name: 2-[[2-furanyl(oxo)methyl]amino]-3-methylbutanoic acid (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 2-(furan-2-carbonylamino)-3-methylbutanoate Traditional Name: 2-(2-furoylamino)-3-methyl-butyric acid (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C21H20ClNO6 MolecularWeight: 417.8396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C(C(C)C)NC(=O)C3=CC=CO3)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C(C(C)C)NC(=O)C3=CC=CO3)Cl

InChI

InChI=1S/C21H20ClNO6/c1-11(2)19(23-20(25)16-5-4-6-27-16)21(26)28-10-13-8-18(24)29-17-7-12(3)15(22)9-14(13)17/h4-9,11,19H,10H2,1-3H3,(H,23,25)