5-[(1R)-1-[3-(2-methylpropylcarbamoyl)-2-oxidanylidene-chromen-7-yl]oxyethyl]furan-2-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC2=C(C=C(C=C2)OC(C)C3=CC=C(O3)C(=O)O)OC1=O

Isomeric SMILES

C[C@H](C1=CC=C(O1)C(=O)O)OC2=CC3=C(C=C2)C=C(C(=O)O3)C(=O)NCC(C)C

InChI

InChI=1S/C21H21NO7/c1-11(2)10-22-19(23)15-8-13-4-5-14(9-18(13)29-21(15)26)27-12(3)16-6-7-17(28-16)20(24)25/h4-9,11-12H,10H2,1-3H3,(H,22,23)(H,24,25)/t12-/m1/s1