[2-oxidanylidene-3-(prop-2-enylcarbamoyl)chromen-7-yl] 4-(2,5-dimethylphenoxy)butanoate

Systemtic Name: [2-oxidanylidene-3-(prop-2-enylcarbamoyl)chromen-7-yl] 4-(2,5-dimethylphenoxy)butanoate Openeye Name: [3-(allylcarbamoyl)-2-oxo-chromen-7-yl] 4-(2,5-dimethylphenoxy)butanoate CAS Name: 4-(2,5-dimethylphenoxy)butanoic acid [2-oxo-3-[oxo-(prop-2-enylamino)methyl]-1-benzopyran-7-yl] ester IUPAC Name: [2-oxo-3-(prop-2-enylcarbamoyl)chromen-7-yl] 4-(2,5-dimethylphenoxy)butanoate Traditional Name: 4-(2,5-dimethylphenoxy)butyric acid [3-(allylcarbamoyl)-2-keto-chromen-7-yl] ester Formula: C25H25NO6 MolecularWeight: 435.4691

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCCCC(=O)OC2=CC3=C(C=C2)C=C(C(=O)O3)C(=O)NCC=C

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCCCC(=O)OC2=CC3=C(C=C2)C=C(C(=O)O3)C(=O)NCC=C

InChI

InChI=1S/C25H25NO6/c1-4-11-26-24(28)20-14-18-9-10-19(15-22(18)32-25(20)29)31-23(27)6-5-12-30-21-13-16(2)7-8-17(21)3/h4,7-10,13-15H,1,5-6,11-12H2,2-3H3,(H,26,28)