2-[4-[6-(2-chloranyl-4-methoxy-phenoxy)hexyl]-3,5-diethyl-pyrazol-1-yl]ethanoic acid

Systemtic Name: 2-[4-[6-(2-chloranyl-4-methoxy-phenoxy)hexyl]-3,5-diethyl-pyrazol-1-yl]ethanoic acid Openeye Name: 2-[4-[6-(2-chloro-4-methoxy-phenoxy)hexyl]-3,5-diethyl-pyrazol-1-yl]acetic acid CAS Name: 2-[4-[6-(2-chloro-4-methoxyphenoxy)hexyl]-3,5-diethyl-1-pyrazolyl]acetic acid IUPAC Name: 2-[4-[6-(2-chloro-4-methoxyphenoxy)hexyl]-3,5-diethylpyrazol-1-yl]acetic acid Traditional Name: 2-[4-[6-(2-chloro-4-methoxy-phenoxy)hexyl]-3,5-diethyl-pyrazol-1-yl]acetic acid Formula: C22H31ClN2O4 MolecularWeight: 422.94554

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1CC(=O)O)CC)CCCCCCOC2=C(C=C(C=C2)OC)Cl

Isomeric SMILES

CCC1=C(C(=NN1CC(=O)O)CC)CCCCCCOC2=C(C=C(C=C2)OC)Cl

InChI

InChI=1S/C22H31ClN2O4/c1-4-19-17(20(5-2)25(24-19)15-22(26)27)10-8-6-7-9-13-29-21-12-11-16(28-3)14-18(21)23/h11-12,14H,4-10,13,15H2,1-3H3,(H,26,27)