[(Z)-4-(tert-butylamino)-4-oxidanylidene-but-2-en-2-yl] 8-ethanoyl-13-(4-fluoranylphenoxy)-12-oxidanyl-tridecanoate

Systemtic Name: [(Z)-4-(tert-butylamino)-4-oxidanylidene-but-2-en-2-yl] 8-ethanoyl-13-(4-fluoranylphenoxy)-12-oxidanyl-tridecanoate Openeye Name: [(Z)-3-(tert-butylamino)-1-methyl-3-oxo-prop-1-enyl] 8-acetyl-13-(4-fluorophenoxy)-12-hydroxy-tridecanoate CAS Name: 8-acetyl-13-(4-fluorophenoxy)-12-hydroxytridecanoic acid [(Z)-4-(tert-butylamino)-4-oxobut-2-en-2-yl] ester IUPAC Name: [(Z)-4-(tert-butylamino)-4-oxobut-2-en-2-yl] 8-acetyl-13-(4-fluorophenoxy)-12-hydroxytridecanoate Traditional Name: 8-acetyl-13-(4-fluorophenoxy)-12-hydroxy-tridecanoic acid [(Z)-3-(tert-butylamino)-3-keto-1-methyl-prop-1-enyl] ester Formula: C29H44FNO6 MolecularWeight: 521.661163

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC(C)(C)C)OC(=O)CCCCCCC(CCCC(COC1=CC=C(C=C1)F)O)C(=O)C

Isomeric SMILES

C/C(=C/C(=O)NC(C)(C)C)/OC(=O)CCCCCCC(CCCC(COC1=CC=C(C=C1)F)O)C(=O)C

InChI

InChI=1S/C29H44FNO6/c1-21(19-27(34)31-29(3,4)5)37-28(35)14-9-7-6-8-11-23(22(2)32)12-10-13-25(33)20-36-26-17-15-24(30)16-18-26/h15-19,23,25,33H,6-14,20H2,1-5H3,(H,31,34)/b21-19-