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

Systemtic Name: 3-phenylpropyl 4-[2-[4-(3-methylbutanoylamino)phenyl]carbonylhydrazinyl]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[2-[4-(3-methylbutanoylamino)benzoyl]hydrazino]-4-oxo-butanoate CAS Name: 4-[[[4-[(3-methyl-1-oxobutyl)amino]phenyl]-oxomethyl]hydrazo]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[2-[4-(3-methylbutanoylamino)benzoyl]hydrazinyl]-4-oxobutanoate Traditional Name: 4-[N'-[4-(isovalerylamino)benzoyl]hydrazino]-4-keto-butyric acid 3-phenylpropyl ester Formula: C25H31N3O5 MolecularWeight: 453.53074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)NNC(=O)CCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)NNC(=O)CCC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C25H31N3O5/c1-18(2)17-23(30)26-21-12-10-20(11-13-21)25(32)28-27-22(29)14-15-24(31)33-16-6-9-19-7-4-3-5-8-19/h3-5,7-8,10-13,18H,6,9,14-17H2,1-2H3,(H,26,30)(H,27,29)(H,28,32)