sodium 2-[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-1-octyl-2,3-dihydroindol-5-yl]ethanoate

Systemtic Name: sodium 2-[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-1-octyl-2,3-dihydroindol-5-yl]ethanoate Openeye Name: sodium 2-[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-1-octyl-indolin-5-yl]acetate CAS Name: sodium 2-[7-[(2,2-dimethyl-1-oxopropyl)amino]-4,6-dimethyl-1-octyl-2,3-dihydroindol-5-yl]acetate IUPAC Name: sodium 2-[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-1-octyl-2,3-dihydroindol-5-yl]acetate Traditional Name: sodium 2-[4,6-dimethyl-1-octyl-7-(pivaloylamino)indolin-5-yl]acetate Formula: C25H39N2NaO3 MolecularWeight: 438.57853

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1CCC2=C(C(=C(C(=C21)NC(=O)C(C)(C)C)C)CC(=O)[O-])C.[Na+]

Isomeric SMILES

CCCCCCCCN1CCC2=C(C(=C(C(=C21)NC(=O)C(C)(C)C)C)CC(=O)[O-])C.[Na+]

InChI

InChI=1S/C25H40N2O3.Na/c1-7-8-9-10-11-12-14-27-15-13-19-17(2)20(16-21(28)29)18(3)22(23(19)27)26-24(30)25(4,5)6;/h7-16H2,1-6H3,(H,26,30)(H,28,29);/q;+1/p-1