(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 3-(2,5-dimethylphenoxy)propanoate

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 3-(2,5-dimethylphenoxy)propanoate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl 3-(2,5-dimethylphenoxy)propanoate CAS Name: 3-(2,5-dimethylphenoxy)propanoic acid (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 3-(2,5-dimethylphenoxy)propanoate Traditional Name: 3-(2,5-dimethylphenoxy)propionic acid (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C22H21ClO5 MolecularWeight: 400.85214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCCC(=O)OCC2=CC(=O)OC3=CC(=C(C=C23)Cl)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCCC(=O)OCC2=CC(=O)OC3=CC(=C(C=C23)Cl)C

InChI

InChI=1S/C22H21ClO5/c1-13-4-5-14(2)19(8-13)26-7-6-21(24)27-12-16-10-22(25)28-20-9-15(3)18(23)11-17(16)20/h4-5,8-11H,6-7,12H2,1-3H3