3-phenylpropyl 5-[2-[2-(2-bromanyl-4-tert-butyl-phenoxy)ethanoyl]hydrazinyl]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[2-[2-(2-bromanyl-4-tert-butyl-phenoxy)ethanoyl]hydrazinyl]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[2-[2-(2-bromo-4-tert-butyl-phenoxy)acetyl]hydrazino]-5-oxo-pentanoate CAS Name: 5-[[2-(2-bromo-4-tert-butylphenoxy)-1-oxoethyl]hydrazo]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[2-[2-(2-bromo-4-tert-butylphenoxy)acetyl]hydrazinyl]-5-oxopentanoate Traditional Name: 5-[N'-[2-(2-bromo-4-tert-butyl-phenoxy)acetyl]hydrazino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C26H33BrN2O5 MolecularWeight: 533.45462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OCC(=O)NNC(=O)CCCC(=O)OCCCC2=CC=CC=C2)Br

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OCC(=O)NNC(=O)CCCC(=O)OCCCC2=CC=CC=C2)Br

InChI

InChI=1S/C26H33BrN2O5/c1-26(2,3)20-14-15-22(21(27)17-20)34-18-24(31)29-28-23(30)12-7-13-25(32)33-16-8-11-19-9-5-4-6-10-19/h4-6,9-10,14-15,17H,7-8,11-13,16,18H2,1-3H3,(H,28,30)(H,29,31)