(phenylmethyl) 7-(4-fluorophenyl)-7-(3-methanoyl-2,4,5-trimethyl-6-phenylmethoxy-phenyl)heptanoate

Systemtic Name: (phenylmethyl) 7-(4-fluorophenyl)-7-(3-methanoyl-2,4,5-trimethyl-6-phenylmethoxy-phenyl)heptanoate Openeye Name: benzyl 7-(2-benzyloxy-5-formyl-3,4,6-trimethyl-phenyl)-7-(4-fluorophenyl)heptanoate CAS Name: 7-(4-fluorophenyl)-7-(3-formyl-2,4,5-trimethyl-6-phenylmethoxyphenyl)heptanoic acid (phenylmethyl) ester IUPAC Name: benzyl 7-(4-fluorophenyl)-7-(3-formyl-2,4,5-trimethyl-6-phenylmethoxyphenyl)heptanoate Traditional Name: 7-(2-benzoxy-5-formyl-3,4,6-trimethyl-phenyl)-7-(4-fluorophenyl)enanthic acid benzyl ester Formula: C37H39FO4 MolecularWeight: 566.701563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)OCC2=CC=CC=C2)C(CCCCCC(=O)OCC3=CC=CC=C3)C4=CC=C(C=C4)F)C)C=O

Isomeric SMILES

CC1=C(C(=C(C(=C1C)OCC2=CC=CC=C2)C(CCCCCC(=O)OCC3=CC=CC=C3)C4=CC=C(C=C4)F)C)C=O

InChI

InChI=1S/C37H39FO4/c1-26-27(2)37(42-25-30-15-9-5-10-16-30)36(28(3)34(26)23-39)33(31-19-21-32(38)22-20-31)17-11-6-12-18-35(40)41-24-29-13-7-4-8-14-29/h4-5,7-10,13-16,19-23,33H,6,11-12,17-18,24-25H2,1-3H3