2-[3-ethoxycarbonyl-2-methyl-1-(3-methylbutyl)-6-pyridin-4-yl-indol-5-yl]oxy-2-methyl-propanoic acid

Systemtic Name: 2-[3-ethoxycarbonyl-2-methyl-1-(3-methylbutyl)-6-pyridin-4-yl-indol-5-yl]oxy-2-methyl-propanoic acid Openeye Name: 2-[3-ethoxycarbonyl-1-isopentyl-2-methyl-6-(4-pyridyl)indol-5-yl]oxy-2-methyl-propanoic acid CAS Name: 2-[[3-ethoxycarbonyl-2-methyl-1-(3-methylbutyl)-6-pyridin-4-yl-5-indolyl]oxy]-2-methylpropanoic acid IUPAC Name: 2-[3-ethoxycarbonyl-2-methyl-1-(3-methylbutyl)-6-pyridin-4-ylindol-5-yl]oxy-2-methylpropanoic acid Traditional Name: 2-[3-carbethoxy-1-isoamyl-2-methyl-6-(4-pyridyl)indol-5-yl]oxy-2-methyl-propionic acid Formula: C26H32N2O5 MolecularWeight: 452.54268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(C)(C)C(=O)O)C3=CC=NC=C3)CCC(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(C)(C)C(=O)O)C3=CC=NC=C3)CCC(C)C)C

InChI

InChI=1S/C26H32N2O5/c1-7-32-24(29)23-17(4)28(13-10-16(2)3)21-14-19(18-8-11-27-12-9-18)22(15-20(21)23)33-26(5,6)25(30)31/h8-9,11-12,14-16H,7,10,13H2,1-6H3,(H,30,31)