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

Systemtic Name: 3-phenylpropyl 4-[2-[2-(4-bromanyl-2-methyl-phenoxy)ethanoyl]hydrazinyl]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[2-[2-(4-bromo-2-methyl-phenoxy)acetyl]hydrazino]-4-oxo-butanoate CAS Name: 4-[[2-(4-bromo-2-methylphenoxy)-1-oxoethyl]hydrazo]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[2-[2-(4-bromo-2-methylphenoxy)acetyl]hydrazinyl]-4-oxobutanoate Traditional Name: 4-[N'-[2-(4-bromo-2-methyl-phenoxy)acetyl]hydrazino]-4-keto-butyric acid 3-phenylpropyl ester Formula: C22H25BrN2O5 MolecularWeight: 477.3483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)OCC(=O)NNC(=O)CCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=CC(=C1)Br)OCC(=O)NNC(=O)CCC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C22H25BrN2O5/c1-16-14-18(23)9-10-19(16)30-15-21(27)25-24-20(26)11-12-22(28)29-13-5-8-17-6-3-2-4-7-17/h2-4,6-7,9-10,14H,5,8,11-13,15H2,1H3,(H,24,26)(H,25,27)