(phenylmethyl) 5-azanyl-6-[2-butyl-2-[4-(4-butylphenyl)butanoyl]hydrazinyl]-6-oxidanylidene-hexanoate

Systemtic Name: (phenylmethyl) 5-azanyl-6-[2-butyl-2-[4-(4-butylphenyl)butanoyl]hydrazinyl]-6-oxidanylidene-hexanoate Openeye Name: benzyl 5-amino-6-[2-butyl-2-[4-(4-butylphenyl)butanoyl]hydrazino]-6-oxo-hexanoate CAS Name: 5-amino-6-[2-butyl-2-[4-(4-butylphenyl)-1-oxobutyl]hydrazinyl]-6-oxohexanoic acid (phenylmethyl) ester IUPAC Name: benzyl 5-amino-6-[2-butyl-2-[4-(4-butylphenyl)butanoyl]hydrazinyl]-6-oxohexanoate Traditional Name: 5-amino-6-[N'-butyl-N'-[4-(4-butylphenyl)butanoyl]hydrazino]-6-keto-hexanoic acid benzyl ester Formula: C31H45N3O4 MolecularWeight: 523.7067

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)CCCC(=O)N(CCCC)NC(=O)C(CCCC(=O)OCC2=CC=CC=C2)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)CCCC(=O)N(CCCC)NC(=O)C(CCCC(=O)OCC2=CC=CC=C2)N

InChI

InChI=1S/C31H45N3O4/c1-3-5-12-25-19-21-26(22-20-25)15-10-17-29(35)34(23-6-4-2)33-31(37)28(32)16-11-18-30(36)38-24-27-13-8-7-9-14-27/h7-9,13-14,19-22,28H,3-6,10-12,15-18,23-24,32H2,1-2H3,(H,33,37)