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

Systemtic Name: 3-phenylpropyl 4-[2-[2-(2-bromanyl-4-tert-butyl-phenoxy)ethanoyl]hydrazinyl]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[2-[2-(2-bromo-4-tert-butyl-phenoxy)acetyl]hydrazino]-4-oxo-butanoate CAS Name: 4-[[2-(2-bromo-4-tert-butylphenoxy)-1-oxoethyl]hydrazo]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[2-[2-(2-bromo-4-tert-butylphenoxy)acetyl]hydrazinyl]-4-oxobutanoate Traditional Name: 4-[N'-[2-(2-bromo-4-tert-butyl-phenoxy)acetyl]hydrazino]-4-keto-butyric acid 3-phenylpropyl ester Formula: C25H31BrN2O5 MolecularWeight: 519.42804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31BrN2O5/c1-25(2,3)19-11-12-21(20(26)16-19)33-17-23(30)28-27-22(29)13-14-24(31)32-15-7-10-18-8-5-4-6-9-18/h4-6,8-9,11-12,16H,7,10,13-15,17H2,1-3H3,(H,27,29)(H,28,30)