3-phenylpropyl 4-[2-(4-methylphenyl)carbonylhydrazinyl]-4-oxidanylidene-butanoate

Systemtic Name: 3-phenylpropyl 4-[2-(4-methylphenyl)carbonylhydrazinyl]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[2-(4-methylbenzoyl)hydrazino]-4-oxo-butanoate CAS Name: 4-[[(4-methylphenyl)-oxomethyl]hydrazo]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[2-(4-methylbenzoyl)hydrazinyl]-4-oxobutanoate Traditional Name: 4-keto-4-(N'-p-toluoylhydrazino)butyric acid 3-phenylpropyl ester Formula: C21H24N2O4 MolecularWeight: 368.42626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O4/c1-16-9-11-18(12-10-16)21(26)23-22-19(24)13-14-20(25)27-15-5-8-17-6-3-2-4-7-17/h2-4,6-7,9-12H,5,8,13-15H2,1H3,(H,22,24)(H,23,26)