3-[4-butoxy-3-(1-ethylindazol-5-yl)phenyl]propanoic acid

Systemtic Name: 3-[4-butoxy-3-(1-ethylindazol-5-yl)phenyl]propanoic acid Openeye Name: 3-[4-butoxy-3-(1-ethylindazol-5-yl)phenyl]propanoic acid CAS Name: 3-[4-butoxy-3-(1-ethyl-5-indazolyl)phenyl]propanoic acid IUPAC Name: 3-[4-butoxy-3-(1-ethylindazol-5-yl)phenyl]propanoic acid Traditional Name: 3-[4-butoxy-3-(1-ethylindazol-5-yl)phenyl]propionic acid Formula: C22H26N2O3 MolecularWeight: 366.45344

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CCC(=O)O)C2=CC3=C(C=C2)N(N=C3)CC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CCC(=O)O)C2=CC3=C(C=C2)N(N=C3)CC

InChI

InChI=1S/C22H26N2O3/c1-3-5-12-27-21-10-6-16(7-11-22(25)26)13-19(21)17-8-9-20-18(14-17)15-23-24(20)4-2/h6,8-10,13-15H,3-5,7,11-12H2,1-2H3,(H,25,26)