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

Systemtic Name: 3-phenylpropyl 5-[2-[2-(2-bromanyl-4-methyl-phenoxy)ethanoyl]hydrazinyl]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[2-[2-(2-bromo-4-methyl-phenoxy)acetyl]hydrazino]-5-oxo-pentanoate CAS Name: 5-[[2-(2-bromo-4-methylphenoxy)-1-oxoethyl]hydrazo]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[2-[2-(2-bromo-4-methylphenoxy)acetyl]hydrazinyl]-5-oxopentanoate Traditional Name: 5-[N'-[2-(2-bromo-4-methyl-phenoxy)acetyl]hydrazino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C23H27BrN2O5 MolecularWeight: 491.37488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27BrN2O5/c1-17-12-13-20(19(24)15-17)31-16-22(28)26-25-21(27)10-5-11-23(29)30-14-6-9-18-7-3-2-4-8-18/h2-4,7-8,12-13,15H,5-6,9-11,14,16H2,1H3,(H,25,27)(H,26,28)