N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-3-ethoxy-4-propoxy-benzamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-3-ethoxy-4-propoxy-benzamide Openeye Name: N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-3-ethoxy-4-propoxy-benzamide CAS Name: N-[2-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]phenyl]-3-ethoxy-4-propoxybenzamide IUPAC Name: N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-3-ethoxy-4-propoxybenzamide Traditional Name: 3-ethoxy-N-[2-(piperonylcarbamoyl)phenyl]-4-propoxy-benzamide Formula: C27H28N2O6 MolecularWeight: 476.52102

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NCC3=CC4=C(C=C3)OCO4)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NCC3=CC4=C(C=C3)OCO4)OCC

InChI

InChI=1S/C27H28N2O6/c1-3-13-33-22-12-10-19(15-25(22)32-4-2)26(30)29-21-8-6-5-7-20(21)27(31)28-16-18-9-11-23-24(14-18)35-17-34-23/h5-12,14-15H,3-4,13,16-17H2,1-2H3,(H,28,31)(H,29,30)