2-methylpropyl N'-(1,3-benzodioxol-5-ylmethyl)-N-(3-fluorophenyl)carbonyl-carbamimidate

Systemtic Name: 2-methylpropyl N'-(1,3-benzodioxol-5-ylmethyl)-N-(3-fluorophenyl)carbonyl-carbamimidate Openeye Name: N-[N-(1,3-benzodioxol-5-ylmethyl)-C-isobutoxy-carbonimidoyl]-3-fluoro-benzamide CAS Name: N'-(1,3-benzodioxol-5-ylmethyl)-N-[(3-fluorophenyl)-oxomethyl]carbamimidic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl N'-(1,3-benzodioxol-5-ylmethyl)-N-(3-fluorobenzoyl)carbamimidate Traditional Name: 3-fluoro-N-(C-isobutoxy-N-piperonyl-carbonimidoyl)benzamide Formula: C20H21FN2O4 MolecularWeight: 372.390143

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=NCC1=CC2=C(C=C1)OCO2)NC(=O)C3=CC(=CC=C3)F

Isomeric SMILES

CC(C)COC(=NCC1=CC2=C(C=C1)OCO2)NC(=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C20H21FN2O4/c1-13(2)11-25-20(23-19(24)15-4-3-5-16(21)9-15)22-10-14-6-7-17-18(8-14)27-12-26-17/h3-9,13H,10-12H2,1-2H3,(H,22,23,24)