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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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