2-[2-(1,3-benzodioxol-4-yl)ethanoylamino]-N-(4-methyl-2-oxidanylidene-heptyl)pentanamide

Systemtic Name: 2-[2-(1,3-benzodioxol-4-yl)ethanoylamino]-N-(4-methyl-2-oxidanylidene-heptyl)pentanamide Openeye Name: 2-[[2-(1,3-benzodioxol-4-yl)acetyl]amino]-N-(4-methyl-2-oxo-heptyl)pentanamide CAS Name: 2-[[2-(1,3-benzodioxol-4-yl)-1-oxoethyl]amino]-N-(4-methyl-2-oxoheptyl)pentanamide IUPAC Name: 2-[[2-(1,3-benzodioxol-4-yl)acetyl]amino]-N-(4-methyl-2-oxoheptyl)pentanamide Traditional Name: 2-[[2-(1,3-benzodioxol-4-yl)acetyl]amino]-N-(2-keto-4-methyl-heptyl)valeramide Formula: C22H32N2O5 MolecularWeight: 404.49988

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)CC(=O)CNC(=O)C(CCC)NC(=O)CC1=C2C(=CC=C1)OCO2

Isomeric SMILES

CCCC(C)CC(=O)CNC(=O)C(CCC)NC(=O)CC1=C2C(=CC=C1)OCO2

InChI

InChI=1S/C22H32N2O5/c1-4-7-15(3)11-17(25)13-23-22(27)18(8-5-2)24-20(26)12-16-9-6-10-19-21(16)29-14-28-19/h6,9-10,15,18H,4-5,7-8,11-14H2,1-3H3,(H,23,27)(H,24,26)