3-[4-(2-ethylbutoxy)-3-(1-methylindazol-5-yl)phenyl]propanoic acid

Systemtic Name: 3-[4-(2-ethylbutoxy)-3-(1-methylindazol-5-yl)phenyl]propanoic acid Openeye Name: 3-[4-(2-ethylbutoxy)-3-(1-methylindazol-5-yl)phenyl]propanoic acid CAS Name: 3-[4-(2-ethylbutoxy)-3-(1-methyl-5-indazolyl)phenyl]propanoic acid IUPAC Name: 3-[4-(2-ethylbutoxy)-3-(1-methylindazol-5-yl)phenyl]propanoic acid Traditional Name: 3-[4-(2-ethylbutoxy)-3-(1-methylindazol-5-yl)phenyl]propionic acid Formula: C23H28N2O3 MolecularWeight: 380.48002

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)COC1=C(C=C(C=C1)CCC(=O)O)C2=CC3=C(C=C2)N(N=C3)C

Isomeric SMILES

CCC(CC)COC1=C(C=C(C=C1)CCC(=O)O)C2=CC3=C(C=C2)N(N=C3)C

InChI

InChI=1S/C23H28N2O3/c1-4-16(5-2)15-28-22-10-6-17(7-11-23(26)27)12-20(22)18-8-9-21-19(13-18)14-24-25(21)3/h6,8-10,12-14,16H,4-5,7,11,15H2,1-3H3,(H,26,27)