ethyl 3-[7-[5-(4-fluorophenyl)pentan-2-yl]-4-methyl-5-oxidanyl-2-oxidanylidene-chromen-3-yl]propanoate

Systemtic Name: ethyl 3-[7-[5-(4-fluorophenyl)pentan-2-yl]-4-methyl-5-oxidanyl-2-oxidanylidene-chromen-3-yl]propanoate Openeye Name: ethyl 3-[7-[4-(4-fluorophenyl)-1-methyl-butyl]-5-hydroxy-4-methyl-2-oxo-chromen-3-yl]propanoate CAS Name: 3-[7-[5-(4-fluorophenyl)pentan-2-yl]-5-hydroxy-4-methyl-2-oxo-1-benzopyran-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[7-[5-(4-fluorophenyl)pentan-2-yl]-5-hydroxy-4-methyl-2-oxochromen-3-yl]propanoate Traditional Name: 3-[7-[4-(4-fluorophenyl)-1-methyl-butyl]-5-hydroxy-2-keto-4-methyl-chromen-3-yl]propionic acid ethyl ester Formula: C26H29FO5 MolecularWeight: 440.503863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=C(C2=C(C=C(C=C2O)C(C)CCCC3=CC=C(C=C3)F)OC1=O)C

Isomeric SMILES

CCOC(=O)CCC1=C(C2=C(C=C(C=C2O)C(C)CCCC3=CC=C(C=C3)F)OC1=O)C

InChI

InChI=1S/C26H29FO5/c1-4-31-24(29)13-12-21-17(3)25-22(28)14-19(15-23(25)32-26(21)30)16(2)6-5-7-18-8-10-20(27)11-9-18/h8-11,14-16,28H,4-7,12-13H2,1-3H3