2-[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-1-octyl-2,3-dihydro-1H-isoindol-5-yl]ethanoic acid

Systemtic Name: 2-[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-1-octyl-2,3-dihydro-1H-isoindol-5-yl]ethanoic acid Openeye Name: 2-[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-1-octyl-isoindolin-5-yl]acetic acid CAS Name: 2-[7-[(2,2-dimethyl-1-oxopropyl)amino]-4,6-dimethyl-1-octyl-2,3-dihydro-1H-isoindol-5-yl]acetic acid IUPAC Name: 2-[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-1-octyl-2,3-dihydro-1H-isoindol-5-yl]acetic acid Traditional Name: 2-[4,6-dimethyl-1-octyl-7-(pivaloylamino)isoindolin-5-yl]acetic acid Formula: C25H40N2O3 MolecularWeight: 416.5967

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1C2=C(CN1)C(=C(C(=C2NC(=O)C(C)(C)C)C)CC(=O)O)C

Isomeric SMILES

CCCCCCCCC1C2=C(CN1)C(=C(C(=C2NC(=O)C(C)(C)C)C)CC(=O)O)C

InChI

InChI=1S/C25H40N2O3/c1-7-8-9-10-11-12-13-20-22-19(15-26-20)16(2)18(14-21(28)29)17(3)23(22)27-24(30)25(4,5)6/h20,26H,7-15H2,1-6H3,(H,27,30)(H,28,29)