N'-[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-3-(4-phenylmethoxyphenyl)propan-2-yl]-2-methyl-pentanediamide

Systemtic Name: N'-[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-3-(4-phenylmethoxyphenyl)propan-2-yl]-2-methyl-pentanediamide Openeye Name: N'-[2-(1,3-benzodioxol-5-ylmethylamino)-1-[(4-benzyloxyphenyl)methyl]-2-oxo-ethyl]-2-methyl-pentanediamide CAS Name: N'-[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]-2-methylpentanediamide IUPAC Name: N'-[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]-2-methylpentanediamide Traditional Name: N'-[1-(4-benzoxybenzyl)-2-keto-2-(piperonylamino)ethyl]-2-methyl-glutaramide Formula: C30H33N3O6 MolecularWeight: 531.59952

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)NC(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)C(=O)N

Isomeric SMILES

CC(CCC(=O)NC(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)C(=O)N

InChI

InChI=1S/C30H33N3O6/c1-20(29(31)35)7-14-28(34)33-25(30(36)32-17-23-10-13-26-27(16-23)39-19-38-26)15-21-8-11-24(12-9-21)37-18-22-5-3-2-4-6-22/h2-6,8-13,16,20,25H,7,14-15,17-19H2,1H3,(H2,31,35)(H,32,36)(H,33,34)