2-[1-(2,6-diphenoxypyrimidin-4-yl)-5-methoxy-2-methyl-indol-3-yl]ethanoic acid

Systemtic Name: 2-[1-(2,6-diphenoxypyrimidin-4-yl)-5-methoxy-2-methyl-indol-3-yl]ethanoic acid Openeye Name: 2-[1-(2,6-diphenoxypyrimidin-4-yl)-5-methoxy-2-methyl-indol-3-yl]acetic acid CAS Name: 2-[1-(2,6-diphenoxy-4-pyrimidinyl)-5-methoxy-2-methyl-3-indolyl]acetic acid IUPAC Name: 2-[1-(2,6-diphenoxypyrimidin-4-yl)-5-methoxy-2-methylindol-3-yl]acetic acid Traditional Name: 2-[1-(2,6-diphenoxypyrimidin-4-yl)-5-methoxy-2-methyl-indol-3-yl]acetic acid Formula: C28H23N3O5 MolecularWeight: 481.49932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C3=CC(=NC(=N3)OC4=CC=CC=C4)OC5=CC=CC=C5)C=CC(=C2)OC)CC(=O)O

Isomeric SMILES

CC1=C(C2=C(N1C3=CC(=NC(=N3)OC4=CC=CC=C4)OC5=CC=CC=C5)C=CC(=C2)OC)CC(=O)O

InChI

InChI=1S/C28H23N3O5/c1-18-22(16-27(32)33)23-15-21(34-2)13-14-24(23)31(18)25-17-26(35-19-9-5-3-6-10-19)30-28(29-25)36-20-11-7-4-8-12-20/h3-15,17H,16H2,1-2H3,(H,32,33)