(4-methyl-2-oxidanylidene-chromen-7-yl) 4-[4-(2-methylbutan-2-yl)phenoxy]butanoate

Systemtic Name: (4-methyl-2-oxidanylidene-chromen-7-yl) 4-[4-(2-methylbutan-2-yl)phenoxy]butanoate Openeye Name: (4-methyl-2-oxo-chromen-7-yl) 4-[4-(1,1-dimethylpropyl)phenoxy]butanoate CAS Name: 4-[4-(2-methylbutan-2-yl)phenoxy]butanoic acid (4-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (4-methyl-2-oxochromen-7-yl) 4-[4-(2-methylbutan-2-yl)phenoxy]butanoate Traditional Name: 4-(4-tert-amylphenoxy)butyric acid (2-keto-4-methyl-chromen-7-yl) ester Formula: C25H28O5 MolecularWeight: 408.48682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28O5/c1-5-25(3,4)18-8-10-19(11-9-18)28-14-6-7-23(26)29-20-12-13-21-17(2)15-24(27)30-22(21)16-20/h8-13,15-16H,5-7,14H2,1-4H3