3-[3,5-bis(3,4-dimethoxyphenyl)-4-methyl-pyrazol-1-yl]propanoic acid

Systemtic Name: 3-[3,5-bis(3,4-dimethoxyphenyl)-4-methyl-pyrazol-1-yl]propanoic acid Openeye Name: 3-[3,5-bis(3,4-dimethoxyphenyl)-4-methyl-pyrazol-1-yl]propanoic acid CAS Name: 3-[3,5-bis(3,4-dimethoxyphenyl)-4-methyl-1-pyrazolyl]propanoic acid IUPAC Name: 3-[3,5-bis(3,4-dimethoxyphenyl)-4-methylpyrazol-1-yl]propanoic acid Traditional Name: 3-[3,5-bis(3,4-dimethoxyphenyl)-4-methyl-pyrazol-1-yl]propionic acid Formula: C23H26N2O6 MolecularWeight: 426.46234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N=C1C2=CC(=C(C=C2)OC)OC)CCC(=O)O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=C(N(N=C1C2=CC(=C(C=C2)OC)OC)CCC(=O)O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C23H26N2O6/c1-14-22(15-6-8-17(28-2)19(12-15)30-4)24-25(11-10-21(26)27)23(14)16-7-9-18(29-3)20(13-16)31-5/h6-9,12-13H,10-11H2,1-5H3,(H,26,27)