3-phenylpropyl 5-[2-(3-bromanyl-4-methyl-phenyl)carbonylhydrazinyl]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[2-(3-bromanyl-4-methyl-phenyl)carbonylhydrazinyl]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[2-(3-bromo-4-methyl-benzoyl)hydrazino]-5-oxo-pentanoate CAS Name: 5-[[(3-bromo-4-methylphenyl)-oxomethyl]hydrazo]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[2-(3-bromo-4-methylbenzoyl)hydrazinyl]-5-oxopentanoate Traditional Name: 5-[N'-(3-bromo-4-methyl-benzoyl)hydrazino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C22H25BrN2O4 MolecularWeight: 461.3489

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25BrN2O4/c1-16-12-13-18(15-19(16)23)22(28)25-24-20(26)10-5-11-21(27)29-14-6-9-17-7-3-2-4-8-17/h2-4,7-8,12-13,15H,5-6,9-11,14H2,1H3,(H,24,26)(H,25,28)