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

Systemtic Name: 2-[1-(2,6-diphenoxypyrimidin-4-yl)-2,5-dimethyl-indol-3-yl]ethanoic acid Openeye Name: 2-[1-(2,6-diphenoxypyrimidin-4-yl)-2,5-dimethyl-indol-3-yl]acetic acid CAS Name: 2-[1-(2,6-diphenoxy-4-pyrimidinyl)-2,5-dimethyl-3-indolyl]acetic acid IUPAC Name: 2-[1-(2,6-diphenoxypyrimidin-4-yl)-2,5-dimethylindol-3-yl]acetic acid Traditional Name: 2-[1-(2,6-diphenoxypyrimidin-4-yl)-2,5-dimethyl-indol-3-yl]acetic acid Formula: C28H23N3O4 MolecularWeight: 465.49992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=C2CC(=O)O)C)C3=CC(=NC(=N3)OC4=CC=CC=C4)OC5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=C2CC(=O)O)C)C3=CC(=NC(=N3)OC4=CC=CC=C4)OC5=CC=CC=C5

InChI

InChI=1S/C28H23N3O4/c1-18-13-14-24-23(15-18)22(16-27(32)33)19(2)31(24)25-17-26(34-20-9-5-3-6-10-20)30-28(29-25)35-21-11-7-4-8-12-21/h3-15,17H,16H2,1-2H3,(H,32,33)