1-(1,3-benzodioxol-5-ylcarbonyl)-N-(3-methylbutyl)-4-(4-methylphenyl)pyrrolidine-3-carboxamide

Systemtic Name: 1-(1,3-benzodioxol-5-ylcarbonyl)-N-(3-methylbutyl)-4-(4-methylphenyl)pyrrolidine-3-carboxamide Openeye Name: 1-(1,3-benzodioxole-5-carbonyl)-N-isopentyl-4-(p-tolyl)pyrrolidine-3-carboxamide CAS Name: 1-[1,3-benzodioxol-5-yl(oxo)methyl]-N-(3-methylbutyl)-4-(4-methylphenyl)-3-pyrrolidinecarboxamide IUPAC Name: 1-(1,3-benzodioxole-5-carbonyl)-N-(3-methylbutyl)-4-(4-methylphenyl)pyrrolidine-3-carboxamide Traditional Name: N-isoamyl-1-piperonyloyl-4-(p-tolyl)pyrrolidine-3-carboxamide Formula: C25H30N2O4 MolecularWeight: 422.5167

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CN(CC2C(=O)NCCC(C)C)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)C2CN(CC2C(=O)NCCC(C)C)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C25H30N2O4/c1-16(2)10-11-26-24(28)21-14-27(13-20(21)18-6-4-17(3)5-7-18)25(29)19-8-9-22-23(12-19)31-15-30-22/h4-9,12,16,20-21H,10-11,13-15H2,1-3H3,(H,26,28)