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

Systemtic Name: 3-[4-butoxy-3-(1-methylindazol-5-yl)phenyl]propanoic acid Openeye Name: 3-[4-butoxy-3-(1-methylindazol-5-yl)phenyl]propanoic acid CAS Name: 3-[4-butoxy-3-(1-methyl-5-indazolyl)phenyl]propanoic acid IUPAC Name: 3-[4-butoxy-3-(1-methylindazol-5-yl)phenyl]propanoic acid Traditional Name: 3-[4-butoxy-3-(1-methylindazol-5-yl)phenyl]propionic acid Formula: C21H24N2O3 MolecularWeight: 352.42686

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O3/c1-3-4-11-26-20-9-5-15(6-10-21(24)25)12-18(20)16-7-8-19-17(13-16)14-22-23(19)2/h5,7-9,12-14H,3-4,6,10-11H2,1-2H3,(H,24,25)