[(E)-4-(tert-butylamino)-4-oxidanylidene-but-2-en-2-yl] 8-aminocarbonyl-12-oxidanyl-heptadecanoate

Systemtic Name: [(E)-4-(tert-butylamino)-4-oxidanylidene-but-2-en-2-yl] 8-aminocarbonyl-12-oxidanyl-heptadecanoate Openeye Name: [(E)-3-(tert-butylamino)-1-methyl-3-oxo-prop-1-enyl] 8-carbamoyl-12-hydroxy-heptadecanoate CAS Name: 8-carbamoyl-12-hydroxyheptadecanoic acid [(E)-4-(tert-butylamino)-4-oxobut-2-en-2-yl] ester IUPAC Name: [(E)-4-(tert-butylamino)-4-oxobut-2-en-2-yl] 8-carbamoyl-12-hydroxyheptadecanoate Traditional Name: 8-carbamoyl-12-hydroxy-heptadecanoic acid [(E)-3-(tert-butylamino)-3-keto-1-methyl-prop-1-enyl] ester Formula: C26H48N2O5 MolecularWeight: 468.66972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCCC(CCCCCCC(=O)OC(=CC(=O)NC(C)(C)C)C)C(=O)N)O

Isomeric SMILES

CCCCCC(CCCC(CCCCCCC(=O)O/C(=C/C(=O)NC(C)(C)C)/C)C(=O)N)O

InChI

InChI=1S/C26H48N2O5/c1-6-7-10-16-22(29)17-13-15-21(25(27)32)14-11-8-9-12-18-24(31)33-20(2)19-23(30)28-26(3,4)5/h19,21-22,29H,6-18H2,1-5H3,(H2,27,32)(H,28,30)/b20-19+