N-[1,2-bis(oxidanylidene)-1-[(phenylmethyl)amino]octan-3-yl]-2-methyl-pentanediamide

Systemtic Name: N-[1,2-bis(oxidanylidene)-1-[(phenylmethyl)amino]octan-3-yl]-2-methyl-pentanediamide Openeye Name: N-[1-[2-(benzylamino)-2-oxo-acetyl]hexyl]-2-methyl-pentanediamide CAS Name: N-[1,2-dioxo-1-[(phenylmethyl)amino]octan-3-yl]-2-methylpentanediamide IUPAC Name: N-[1-(benzylamino)-1,2-dioxooctan-3-yl]-2-methylpentanediamide Traditional Name: N-[1-[2-(benzylamino)-2-keto-acetyl]hexyl]-2-methyl-glutaramide Formula: C21H31N3O4 MolecularWeight: 389.48854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(=O)C(=O)NCC1=CC=CC=C1)NC(=O)C(C)CCC(=O)N

Isomeric SMILES

CCCCCC(C(=O)C(=O)NCC1=CC=CC=C1)NC(=O)C(C)CCC(=O)N

InChI

InChI=1S/C21H31N3O4/c1-3-4-6-11-17(24-20(27)15(2)12-13-18(22)25)19(26)21(28)23-14-16-9-7-5-8-10-16/h5,7-10,15,17H,3-4,6,11-14H2,1-2H3,(H2,22,25)(H,23,28)(H,24,27)