methyl 4-[3-(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)propanoylamino]benzoate

Systemtic Name: methyl 4-[3-(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)propanoylamino]benzoate Openeye Name: methyl 4-[3-(7-hydroxy-4-methyl-2-oxo-chromen-3-yl)propanoylamino]benzoate CAS Name: 4-[[3-(7-hydroxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(7-hydroxy-4-methyl-2-oxochromen-3-yl)propanoylamino]benzoate Traditional Name: 4-[3-(7-hydroxy-2-keto-4-methyl-chromen-3-yl)propanoylamino]benzoic acid methyl ester Formula: C21H19NO6 MolecularWeight: 381.37866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)O)CCC(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)O)CCC(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

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