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

Systemtic Name: 3-[[2-oxidanylidene-3-(propan-2-ylcarbamoyl)chromen-7-yl]oxymethyl]benzoic acid Openeye Name: 3-[[3-(isopropylcarbamoyl)-2-oxo-chromen-7-yl]oxymethyl]benzoic acid CAS Name: 3-[[2-oxo-3-[oxo-(propan-2-ylamino)methyl]-1-benzopyran-7-yl]oxymethyl]benzoic acid IUPAC Name: 3-[[2-oxo-3-(propan-2-ylcarbamoyl)chromen-7-yl]oxymethyl]benzoic acid Traditional Name: 3-[[3-(isopropylcarbamoyl)-2-keto-chromen-7-yl]oxymethyl]benzoic acid Formula: C21H19NO6 MolecularWeight: 381.37866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19NO6/c1-12(2)22-19(23)17-9-14-6-7-16(10-18(14)28-21(17)26)27-11-13-4-3-5-15(8-13)20(24)25/h3-10,12H,11H2,1-2H3,(H,22,23)(H,24,25)