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

Systemtic Name: [(E)-4-(tert-butylamino)-4-oxidanylidene-but-2-en-2-yl] 8-ethanoyl-12-oxidanyl-8-phenyl-heptadecanoate Openeye Name: [(E)-3-(tert-butylamino)-1-methyl-3-oxo-prop-1-enyl] 8-acetyl-12-hydroxy-8-phenyl-heptadecanoate CAS Name: 8-acetyl-12-hydroxy-8-phenylheptadecanoic 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-acetyl-12-hydroxy-8-phenylheptadecanoate Traditional Name: 8-acetyl-12-hydroxy-8-phenyl-heptadecanoic acid [(E)-3-(tert-butylamino)-3-keto-1-methyl-prop-1-enyl] ester Formula: C33H53NO5 MolecularWeight: 543.77762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCCC(CCCCCCC(=O)OC(=CC(=O)NC(C)(C)C)C)(C1=CC=CC=C1)C(=O)C)O

Isomeric SMILES

CCCCCC(CCCC(CCCCCCC(=O)O/C(=C/C(=O)NC(C)(C)C)/C)(C1=CC=CC=C1)C(=O)C)O

InChI

InChI=1S/C33H53NO5/c1-7-8-12-20-29(36)21-17-24-33(27(3)35,28-18-13-11-14-19-28)23-16-10-9-15-22-31(38)39-26(2)25-30(37)34-32(4,5)6/h11,13-14,18-19,25,29,36H,7-10,12,15-17,20-24H2,1-6H3,(H,34,37)/b26-25+