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

Systemtic Name: 2-[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-1-octyl-indol-5-yl]ethanoic acid Openeye Name: 2-[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-1-octyl-indol-5-yl]acetic acid CAS Name: 2-[7-[(2,2-dimethyl-1-oxopropyl)amino]-4,6-dimethyl-1-octyl-5-indolyl]acetic acid IUPAC Name: 2-[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-1-octylindol-5-yl]acetic acid Traditional Name: 2-[4,6-dimethyl-1-octyl-7-(pivaloylamino)indol-5-yl]acetic acid Formula: C25H38N2O3 MolecularWeight: 414.58082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C=CC2=C(C(=C(C(=C21)NC(=O)C(C)(C)C)C)CC(=O)O)C

Isomeric SMILES

CCCCCCCCN1C=CC2=C(C(=C(C(=C21)NC(=O)C(C)(C)C)C)CC(=O)O)C

InChI

InChI=1S/C25H38N2O3/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/h13,15H,7-12,14,16H2,1-6H3,(H,26,30)(H,28,29)