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

Systemtic Name: 3-[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-1-octyl-2,3-dihydroindol-3-yl]propanoic acid Openeye Name: 3-[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-1-octyl-indolin-3-yl]propanoic acid CAS Name: 3-[7-[(2,2-dimethyl-1-oxopropyl)amino]-4,6-dimethyl-1-octyl-2,3-dihydroindol-3-yl]propanoic acid IUPAC Name: 3-[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-1-octyl-2,3-dihydroindol-3-yl]propanoic acid Traditional Name: 3-[4,6-dimethyl-1-octyl-7-(pivaloylamino)indolin-3-yl]propionic acid Formula: C26H42N2O3 MolecularWeight: 430.62328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1CC(C2=C1C(=C(C=C2C)C)NC(=O)C(C)(C)C)CCC(=O)O

Isomeric SMILES

CCCCCCCCN1CC(C2=C1C(=C(C=C2C)C)NC(=O)C(C)(C)C)CCC(=O)O

InChI

InChI=1S/C26H42N2O3/c1-7-8-9-10-11-12-15-28-17-20(13-14-21(29)30)22-18(2)16-19(3)23(24(22)28)27-25(31)26(4,5)6/h16,20H,7-15,17H2,1-6H3,(H,27,31)(H,29,30)