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

Systemtic Name: (6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 2-(furan-2-ylcarbonylamino)-3-methyl-butanoate Openeye Name: (6-chloro-7-ethyl-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-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-ethyl-2-oxochromen-4-yl)methyl 2-(furan-2-carbonylamino)-3-methylbutanoate Traditional Name: 2-(2-furoylamino)-3-methyl-butyric acid (6-chloro-7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C22H22ClNO6 MolecularWeight: 431.86618

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C(C(C)C)NC(=O)C3=CC=CO3)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C(C(C)C)NC(=O)C3=CC=CO3)Cl

InChI

InChI=1S/C22H22ClNO6/c1-4-13-8-18-15(10-16(13)23)14(9-19(25)30-18)11-29-22(27)20(12(2)3)24-21(26)17-6-5-7-28-17/h5-10,12,20H,4,11H2,1-3H3,(H,24,26)