2-[(4-methylpentanoylamino)-phenyl-amino]-N-oxidanyl-N'-(phenylmethyl)-2-[(E)-3-phenylprop-2-enyl]propanediamide

Systemtic Name: 2-[(4-methylpentanoylamino)-phenyl-amino]-N-oxidanyl-N'-(phenylmethyl)-2-[(E)-3-phenylprop-2-enyl]propanediamide Openeye Name: (E)-N-benzyl-2-(hydroxycarbamoyl)-2-(N-(4-methylpentanoylamino)anilino)-5-phenyl-pent-4-enamide CAS Name: N-hydroxy-2-(N-[(4-methyl-1-oxopentyl)amino]anilino)-N'-(phenylmethyl)-2-[(E)-3-phenylprop-2-enyl]propanediamide IUPAC Name: N-benzyl-N'-hydroxy-2-(N-(4-methylpentanoylamino)anilino)-2-[(E)-3-phenylprop-2-enyl]propanediamide Traditional Name: (E)-N-benzyl-2-(hydroxycarbamoyl)-2-(N-(4-methylpentanoylamino)anilino)-5-phenyl-pent-4-enamide Formula: C31H36N4O4 MolecularWeight: 528.64194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)NN(C1=CC=CC=C1)C(CC=CC2=CC=CC=C2)(C(=O)NCC3=CC=CC=C3)C(=O)NO

Isomeric SMILES

CC(C)CCC(=O)NN(C1=CC=CC=C1)C(C/C=C/C2=CC=CC=C2)(C(=O)NCC3=CC=CC=C3)C(=O)NO

InChI

InChI=1S/C31H36N4O4/c1-24(2)20-21-28(36)33-35(27-18-10-5-11-19-27)31(30(38)34-39,22-12-17-25-13-6-3-7-14-25)29(37)32-23-26-15-8-4-9-16-26/h3-19,24,39H,20-23H2,1-2H3,(H,32,37)(H,33,36)(H,34,38)/b17-12+