2-[4-[(E)-2-(3,5-dimethoxy-2-oxidanyl-phenyl)ethenyl]-5-methyl-pyrazol-1-yl]ethanoic acid

Systemtic Name: 2-[4-[(E)-2-(3,5-dimethoxy-2-oxidanyl-phenyl)ethenyl]-5-methyl-pyrazol-1-yl]ethanoic acid Openeye Name: 2-[4-[(E)-2-(2-hydroxy-3,5-dimethoxy-phenyl)vinyl]-5-methyl-pyrazol-1-yl]acetic acid CAS Name: 2-[4-[(E)-2-(2-hydroxy-3,5-dimethoxyphenyl)ethenyl]-5-methyl-1-pyrazolyl]acetic acid IUPAC Name: 2-[4-[(E)-2-(2-hydroxy-3,5-dimethoxyphenyl)ethenyl]-5-methylpyrazol-1-yl]acetic acid Traditional Name: 2-[4-[(E)-2-(2-hydroxy-3,5-dimethoxy-phenyl)vinyl]-5-methyl-pyrazol-1-yl]acetic acid Formula: C16H18N2O5 MolecularWeight: 318.32452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1CC(=O)O)C=CC2=CC(=CC(=C2O)OC)OC

Isomeric SMILES

CC1=C(C=NN1CC(=O)O)/C=C/C2=CC(=CC(=C2O)OC)OC

InChI

InChI=1S/C16H18N2O5/c1-10-12(8-17-18(10)9-15(19)20)5-4-11-6-13(22-2)7-14(23-3)16(11)21/h4-8,21H,9H2,1-3H3,(H,19,20)/b5-4+