ethyl 7-(4-fluorophenyl)-7-(3-methanoyl-2,4,5-trimethyl-6-oxidanyl-phenyl)heptanoate

Systemtic Name: ethyl 7-(4-fluorophenyl)-7-(3-methanoyl-2,4,5-trimethyl-6-oxidanyl-phenyl)heptanoate Openeye Name: ethyl 7-(4-fluorophenyl)-7-(5-formyl-2-hydroxy-3,4,6-trimethyl-phenyl)heptanoate CAS Name: 7-(4-fluorophenyl)-7-(5-formyl-2-hydroxy-3,4,6-trimethylphenyl)heptanoic acid ethyl ester IUPAC Name: ethyl 7-(4-fluorophenyl)-7-(5-formyl-2-hydroxy-3,4,6-trimethylphenyl)heptanoate Traditional Name: 7-(4-fluorophenyl)-7-(5-formyl-2-hydroxy-3,4,6-trimethyl-phenyl)enanthic acid ethyl ester Formula: C25H31FO4 MolecularWeight: 414.509643

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCC(C1=CC=C(C=C1)F)C2=C(C(=C(C(=C2O)C)C)C=O)C

Isomeric SMILES

CCOC(=O)CCCCCC(C1=CC=C(C=C1)F)C2=C(C(=C(C(=C2O)C)C)C=O)C

InChI

InChI=1S/C25H31FO4/c1-5-30-23(28)10-8-6-7-9-21(19-11-13-20(26)14-12-19)24-18(4)22(15-27)16(2)17(3)25(24)29/h11-15,21,29H,5-10H2,1-4H3