propan-2-yl N'-(1,3-benzodioxol-5-ylcarbonyl)-N-phenethyl-N-(phenylmethyl)carbamimidate

Systemtic Name: propan-2-yl N'-(1,3-benzodioxol-5-ylcarbonyl)-N-phenethyl-N-(phenylmethyl)carbamimidate Openeye Name: N-[[benzyl(phenethyl)amino]-isopropoxy-methylene]-1,3-benzodioxole-5-carboxamide CAS Name: N'-[1,3-benzodioxol-5-yl(oxo)methyl]-N-phenethyl-N-(phenylmethyl)carbamimidic acid propan-2-yl ester IUPAC Name: propan-2-yl N'-(1,3-benzodioxole-5-carbonyl)-N-benzyl-N-phenethylcarbamimidate Traditional Name: N-[[benzyl(phenethyl)amino]-isopropoxy-methylene]-piperonylamide Formula: C27H28N2O4 MolecularWeight: 444.52222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=NC(=O)C1=CC2=C(C=C1)OCO2)N(CCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)OC(=NC(=O)C1=CC2=C(C=C1)OCO2)N(CCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C27H28N2O4/c1-20(2)33-27(28-26(30)23-13-14-24-25(17-23)32-19-31-24)29(18-22-11-7-4-8-12-22)16-15-21-9-5-3-6-10-21/h3-14,17,20H,15-16,18-19H2,1-2H3