propyl N'-(1,3-benzodioxol-5-ylcarbonyl)-N-phenethyl-N-(phenylmethyl)carbamimidate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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