methyl (Z)-7-[1-(2,2-dimethylpropyl)-2-methyl-5-[2,2,2-tris(fluoranyl)ethanoyl]-4-[(E)-3-[2,2,2-tris(fluoranyl)ethanoyloxy]oct-1-enyl]pyrrol-3-yl]hept-5-enoate

Systemtic Name: methyl (Z)-7-[1-(2,2-dimethylpropyl)-2-methyl-5-[2,2,2-tris(fluoranyl)ethanoyl]-4-[(E)-3-[2,2,2-tris(fluoranyl)ethanoyloxy]oct-1-enyl]pyrrol-3-yl]hept-5-enoate Openeye Name: methyl (Z)-7-[1-(2,2-dimethylpropyl)-2-methyl-5-(2,2,2-trifluoroacetyl)-4-[(E)-3-(2,2,2-trifluoroacetyl)oxyoct-1-enyl]pyrrol-3-yl]hept-5-enoate CAS Name: (Z)-7-[1-(2,2-dimethylpropyl)-2-methyl-4-[(E)-3-(2,2,2-trifluoro-1-oxoethoxy)oct-1-enyl]-5-(2,2,2-trifluoro-1-oxoethyl)-3-pyrrolyl]-5-heptenoic acid methyl ester IUPAC Name: methyl (Z)-7-[1-(2,2-dimethylpropyl)-2-methyl-5-(2,2,2-trifluoroacetyl)-4-[(E)-3-(2,2,2-trifluoroacetyl)oxyoct-1-enyl]pyrrol-3-yl]hept-5-enoate Traditional Name: (Z)-7-[2-methyl-1-neopentyl-5-(2,2,2-trifluoroacetyl)-4-[(E)-3-(2,2,2-trifluoroacetyl)oxyoct-1-enyl]pyrrol-3-yl]hept-5-enoic acid methyl ester Formula: C30H41F6NO5 MolecularWeight: 609.640659

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=CC1=C(N(C(=C1CC=CCCCC(=O)OC)C)CC(C)(C)C)C(=O)C(F)(F)F)OC(=O)C(F)(F)F

Isomeric SMILES

CCCCCC(/C=C/C1=C(N(C(=C1C/C=C\CCCC(=O)OC)C)CC(C)(C)C)C(=O)C(F)(F)F)OC(=O)C(F)(F)F

InChI

InChI=1S/C30H41F6NO5/c1-7-8-11-14-21(42-27(40)30(34,35)36)17-18-23-22(15-12-9-10-13-16-24(38)41-6)20(2)37(19-28(3,4)5)25(23)26(39)29(31,32)33/h9,12,17-18,21H,7-8,10-11,13-16,19H2,1-6H3/b12-9-,18-17+