3-phenylpropyl 5-[2-[4-[(3-chloranyl-2-methyl-phenyl)amino]-4-oxidanylidene-butanoyl]hydrazinyl]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[2-[4-[(3-chloranyl-2-methyl-phenyl)amino]-4-oxidanylidene-butanoyl]hydrazinyl]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[2-[4-(3-chloro-2-methyl-anilino)-4-oxo-butanoyl]hydrazino]-5-oxo-pentanoate CAS Name: 5-[[4-(3-chloro-2-methylanilino)-1,4-dioxobutyl]hydrazo]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[2-[4-(3-chloro-2-methylanilino)-4-oxobutanoyl]hydrazinyl]-5-oxopentanoate Traditional Name: 5-[N'-[4-(3-chloro-2-methyl-anilino)-4-keto-butanoyl]hydrazino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C25H30ClN3O5 MolecularWeight: 487.9758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CCC(=O)NNC(=O)CCCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CCC(=O)NNC(=O)CCCC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C25H30ClN3O5/c1-18-20(26)11-5-12-21(18)27-22(30)15-16-24(32)29-28-23(31)13-6-14-25(33)34-17-7-10-19-8-3-2-4-9-19/h2-5,8-9,11-12H,6-7,10,13-17H2,1H3,(H,27,30)(H,28,31)(H,29,32)