methyl 7-(2-fluorophenyl)-7-(2-methoxy-3,4,6-trimethyl-5-pentanoyl-phenyl)heptanoate

Systemtic Name: methyl 7-(2-fluorophenyl)-7-(2-methoxy-3,4,6-trimethyl-5-pentanoyl-phenyl)heptanoate Openeye Name: methyl 7-(2-fluorophenyl)-7-(2-methoxy-3,4,6-trimethyl-5-pentanoyl-phenyl)heptanoate CAS Name: 7-(2-fluorophenyl)-7-[2-methoxy-3,4,6-trimethyl-5-(1-oxopentyl)phenyl]heptanoic acid methyl ester IUPAC Name: methyl 7-(2-fluorophenyl)-7-(2-methoxy-3,4,6-trimethyl-5-pentanoylphenyl)heptanoate Traditional Name: 7-(2-fluorophenyl)-7-(2-methoxy-3,4,6-trimethyl-5-valeryl-phenyl)enanthic acid methyl ester Formula: C29H39FO4 MolecularWeight: 470.615963

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C1=C(C(=C(C(=C1C)C(CCCCCC(=O)OC)C2=CC=CC=C2F)OC)C)C

Isomeric SMILES

CCCCC(=O)C1=C(C(=C(C(=C1C)C(CCCCCC(=O)OC)C2=CC=CC=C2F)OC)C)C

InChI

InChI=1S/C29H39FO4/c1-7-8-17-25(31)27-19(2)20(3)29(34-6)28(21(27)4)23(22-14-12-13-16-24(22)30)15-10-9-11-18-26(32)33-5/h12-14,16,23H,7-11,15,17-18H2,1-6H3