2-[3-ethoxycarbonyl-6-hexyl-2-methyl-1-(2-methylpropyl)indol-5-yl]oxyethanoic acid

Systemtic Name: 2-[3-ethoxycarbonyl-6-hexyl-2-methyl-1-(2-methylpropyl)indol-5-yl]oxyethanoic acid Openeye Name: 2-(3-ethoxycarbonyl-6-hexyl-1-isobutyl-2-methyl-indol-5-yl)oxyacetic acid CAS Name: 2-[[3-ethoxycarbonyl-6-hexyl-2-methyl-1-(2-methylpropyl)-5-indolyl]oxy]acetic acid IUPAC Name: 2-[3-ethoxycarbonyl-6-hexyl-2-methyl-1-(2-methylpropyl)indol-5-yl]oxyacetic acid Traditional Name: 2-(3-carbethoxy-6-hexyl-1-isobutyl-2-methyl-indol-5-yl)oxyacetic acid Formula: C24H35NO5 MolecularWeight: 417.5384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=C2C(=C1)N(C(=C2C(=O)OCC)C)CC(C)C)OCC(=O)O

Isomeric SMILES

CCCCCCC1=C(C=C2C(=C1)N(C(=C2C(=O)OCC)C)CC(C)C)OCC(=O)O

InChI

InChI=1S/C24H35NO5/c1-6-8-9-10-11-18-12-20-19(13-21(18)30-15-22(26)27)23(24(28)29-7-2)17(5)25(20)14-16(3)4/h12-13,16H,6-11,14-15H2,1-5H3,(H,26,27)