3-[5-(3-methoxyphenoxy)-1-(4-methoxyphenyl)-3-methyl-pyrazol-4-yl]propanoic acid

Systemtic Name: 3-[5-(3-methoxyphenoxy)-1-(4-methoxyphenyl)-3-methyl-pyrazol-4-yl]propanoic acid Openeye Name: 3-[5-(3-methoxyphenoxy)-1-(4-methoxyphenyl)-3-methyl-pyrazol-4-yl]propanoic acid CAS Name: 3-[5-(3-methoxyphenoxy)-1-(4-methoxyphenyl)-3-methyl-4-pyrazolyl]propanoic acid IUPAC Name: 3-[5-(3-methoxyphenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]propanoic acid Traditional Name: 3-[5-(3-methoxyphenoxy)-1-(4-methoxyphenyl)-3-methyl-pyrazol-4-yl]propionic acid Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CCC(=O)O)OC2=CC(=CC=C2)OC)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=NN(C(=C1CCC(=O)O)OC2=CC(=CC=C2)OC)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H22N2O5/c1-14-19(11-12-20(24)25)21(28-18-6-4-5-17(13-18)27-3)23(22-14)15-7-9-16(26-2)10-8-15/h4-10,13H,11-12H2,1-3H3,(H,24,25)