4-[3-ethoxycarbonyl-6-hexyl-1-(2-methoxyethyl)-2-methyl-indol-5-yl]oxybutanoic acid

Systemtic Name: 4-[3-ethoxycarbonyl-6-hexyl-1-(2-methoxyethyl)-2-methyl-indol-5-yl]oxybutanoic acid Openeye Name: 4-[3-ethoxycarbonyl-6-hexyl-1-(2-methoxyethyl)-2-methyl-indol-5-yl]oxybutanoic acid CAS Name: 4-[[3-ethoxycarbonyl-6-hexyl-1-(2-methoxyethyl)-2-methyl-5-indolyl]oxy]butanoic acid IUPAC Name: 4-[3-ethoxycarbonyl-6-hexyl-1-(2-methoxyethyl)-2-methylindol-5-yl]oxybutanoic acid Traditional Name: 4-[3-carbethoxy-6-hexyl-1-(2-methoxyethyl)-2-methyl-indol-5-yl]oxybutyric acid Formula: C25H37NO6 MolecularWeight: 447.56438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=C2C(=C1)N(C(=C2C(=O)OCC)C)CCOC)OCCCC(=O)O

Isomeric SMILES

CCCCCCC1=C(C=C2C(=C1)N(C(=C2C(=O)OCC)C)CCOC)OCCCC(=O)O

InChI

InChI=1S/C25H37NO6/c1-5-7-8-9-11-19-16-21-20(17-22(19)32-14-10-12-23(27)28)24(25(29)31-6-2)18(3)26(21)13-15-30-4/h16-17H,5-15H2,1-4H3,(H,27,28)