3-[[3-(2-methylpropylcarbamoyl)-2-oxidanylidene-chromen-7-yl]oxymethyl]benzoic acid

Systemtic Name: 3-[[3-(2-methylpropylcarbamoyl)-2-oxidanylidene-chromen-7-yl]oxymethyl]benzoic acid Openeye Name: 3-[[3-(isobutylcarbamoyl)-2-oxo-chromen-7-yl]oxymethyl]benzoic acid CAS Name: 3-[[3-[(2-methylpropylamino)-oxomethyl]-2-oxo-1-benzopyran-7-yl]oxymethyl]benzoic acid IUPAC Name: 3-[[3-(2-methylpropylcarbamoyl)-2-oxochromen-7-yl]oxymethyl]benzoic acid Traditional Name: 3-[[3-(isobutylcarbamoyl)-2-keto-chromen-7-yl]oxymethyl]benzoic acid Formula: C22H21NO6 MolecularWeight: 395.40524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC2=C(C=C(C=C2)OCC3=CC=CC(=C3)C(=O)O)OC1=O

Isomeric SMILES

CC(C)CNC(=O)C1=CC2=C(C=C(C=C2)OCC3=CC=CC(=C3)C(=O)O)OC1=O

InChI

InChI=1S/C22H21NO6/c1-13(2)11-23-20(24)18-9-15-6-7-17(10-19(15)29-22(18)27)28-12-14-4-3-5-16(8-14)21(25)26/h3-10,13H,11-12H2,1-2H3,(H,23,24)(H,25,26)