4-acetamido-N1,N3-bis(1,3-benzodioxol-5-ylmethyl)benzene-1,3-dicarboxamide

Systemtic Name: 4-acetamido-N1,N3-bis(1,3-benzodioxol-5-ylmethyl)benzene-1,3-dicarboxamide Openeye Name: 4-acetamido-N1,N3-bis(1,3-benzodioxol-5-ylmethyl)benzene-1,3-dicarboxamide CAS Name: 4-acetamido-N1,N3-bis(1,3-benzodioxol-5-ylmethyl)benzene-1,3-dicarboxamide IUPAC Name: 4-acetamido-1-N,3-N-bis(1,3-benzodioxol-5-ylmethyl)benzene-1,3-dicarboxamide Traditional Name: 4-acetamido-N,N'-dipiperonyl-isophthalamide Formula: C26H23N3O7 MolecularWeight: 489.47672

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)C(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)C(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H23N3O7/c1-15(30)29-20-5-4-18(25(31)27-11-16-2-6-21-23(8-16)35-13-33-21)10-19(20)26(32)28-12-17-3-7-22-24(9-17)36-14-34-22/h2-10H,11-14H2,1H3,(H,27,31)(H,28,32)(H,29,30)