(E)-2-(4-methoxyphenyl)-8-(1H-pyrazol-5-yl)oct-5-enoic acid

Systemtic Name: (E)-2-(4-methoxyphenyl)-8-(1H-pyrazol-5-yl)oct-5-enoic acid Openeye Name: (E)-2-(4-methoxyphenyl)-8-(1H-pyrazol-5-yl)oct-5-enoic acid CAS Name: (E)-2-(4-methoxyphenyl)-8-(1H-pyrazol-5-yl)-5-octenoic acid IUPAC Name: (E)-2-(4-methoxyphenyl)-8-(1H-pyrazol-5-yl)oct-5-enoic acid Traditional Name: (E)-2-(4-methoxyphenyl)-8-(1H-pyrazol-5-yl)oct-5-enoic acid Formula: C18H22N2O3 MolecularWeight: 314.37888

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CCC=CCCC2=CC=NN2)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C(CC/C=C/CCC2=CC=NN2)C(=O)O

InChI

InChI=1S/C18H22N2O3/c1-23-16-10-8-14(9-11-16)17(18(21)22)7-5-3-2-4-6-15-12-13-19-20-15/h2-3,8-13,17H,4-7H2,1H3,(H,19,20)(H,21,22)/b3-2+