2-[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-1-octyl-2,3-dihydroindol-5-yl]ethanoic acid sulfate

Systemtic Name: 2-[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-1-octyl-2,3-dihydroindol-5-yl]ethanoic acid sulfate Openeye Name: 2-[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-1-octyl-indolin-5-yl]acetic acid sulfate CAS Name: 2-[7-[(2,2-dimethyl-1-oxopropyl)amino]-4,6-dimethyl-1-octyl-2,3-dihydroindol-5-yl]acetic acid sulfate IUPAC Name: 2-[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-1-octyl-2,3-dihydroindol-5-yl]acetic acid sulfate Traditional Name: 2-[4,6-dimethyl-1-octyl-7-(pivaloylamino)indolin-5-yl]acetic acid sulfate Formula: C25H40N2O7S-2 MolecularWeight: 512.6593

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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.[O-]S(=O)(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C25H40N2O3.H2O4S/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;1-5(2,3)4/h7-16H2,1-6H3,(H,26,30)(H,28,29);(H2,1,2,3,4)/p-2