5-methyl-4-[[3-(2-methylpropylcarbamoyl)-2-oxidanylidene-chromen-7-yl]oxymethyl]furan-2-carboxylic acid

Systemtic Name: 5-methyl-4-[[3-(2-methylpropylcarbamoyl)-2-oxidanylidene-chromen-7-yl]oxymethyl]furan-2-carboxylic acid Openeye Name: 4-[[3-(isobutylcarbamoyl)-2-oxo-chromen-7-yl]oxymethyl]-5-methyl-furan-2-carboxylic acid CAS Name: 5-methyl-4-[[3-[(2-methylpropylamino)-oxomethyl]-2-oxo-1-benzopyran-7-yl]oxymethyl]-2-furancarboxylic acid IUPAC Name: 5-methyl-4-[[3-(2-methylpropylcarbamoyl)-2-oxochromen-7-yl]oxymethyl]furan-2-carboxylic acid Traditional Name: 4-[[3-(isobutylcarbamoyl)-2-keto-chromen-7-yl]oxymethyl]-5-methyl-2-furoic acid Formula: C21H21NO7 MolecularWeight: 399.39394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C(=O)O)COC2=CC3=C(C=C2)C=C(C(=O)O3)C(=O)NCC(C)C

Isomeric SMILES

CC1=C(C=C(O1)C(=O)O)COC2=CC3=C(C=C2)C=C(C(=O)O3)C(=O)NCC(C)C

InChI

InChI=1S/C21H21NO7/c1-11(2)9-22-19(23)16-6-13-4-5-15(8-17(13)29-21(16)26)27-10-14-7-18(20(24)25)28-12(14)3/h4-8,11H,9-10H2,1-3H3,(H,22,23)(H,24,25)