3-[3-(1-ethylindazol-5-yl)-4-[2-(2-methylphenyl)ethoxy]phenyl]propanoic acid

Systemtic Name: 3-[3-(1-ethylindazol-5-yl)-4-[2-(2-methylphenyl)ethoxy]phenyl]propanoic acid Openeye Name: 3-[3-(1-ethylindazol-5-yl)-4-[2-(o-tolyl)ethoxy]phenyl]propanoic acid CAS Name: 3-[3-(1-ethyl-5-indazolyl)-4-[2-(2-methylphenyl)ethoxy]phenyl]propanoic acid IUPAC Name: 3-[3-(1-ethylindazol-5-yl)-4-[2-(2-methylphenyl)ethoxy]phenyl]propanoic acid Traditional Name: 3-[3-(1-ethylindazol-5-yl)-4-[2-(o-tolyl)ethoxy]phenyl]propionic acid Formula: C27H28N2O3 MolecularWeight: 428.52282

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C3=C(C=CC(=C3)CCC(=O)O)OCCC4=CC=CC=C4C)C=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C3=C(C=CC(=C3)CCC(=O)O)OCCC4=CC=CC=C4C)C=N1

InChI

InChI=1S/C27H28N2O3/c1-3-29-25-11-10-22(17-23(25)18-28-29)24-16-20(9-13-27(30)31)8-12-26(24)32-15-14-21-7-5-4-6-19(21)2/h4-8,10-12,16-18H,3,9,13-15H2,1-2H3,(H,30,31)