methyl (E)-3-[5-cyclohexyl-1-(4-phenylmethoxyphenyl)pyrazol-3-yl]prop-2-enoate

Systemtic Name: methyl (E)-3-[5-cyclohexyl-1-(4-phenylmethoxyphenyl)pyrazol-3-yl]prop-2-enoate Openeye Name: methyl (E)-3-[1-(4-benzyloxyphenyl)-5-cyclohexyl-pyrazol-3-yl]prop-2-enoate CAS Name: (E)-3-[5-cyclohexyl-1-(4-phenylmethoxyphenyl)-3-pyrazolyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[5-cyclohexyl-1-(4-phenylmethoxyphenyl)pyrazol-3-yl]prop-2-enoate Traditional Name: (E)-3-[1-(4-benzoxyphenyl)-5-cyclohexyl-pyrazol-3-yl]acrylic acid methyl ester Formula: C26H28N2O3 MolecularWeight: 416.51212

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC1=NN(C(=C1)C2CCCCC2)C3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

COC(=O)/C=C/C1=NN(C(=C1)C2CCCCC2)C3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C26H28N2O3/c1-30-26(29)17-12-22-18-25(21-10-6-3-7-11-21)28(27-22)23-13-15-24(16-14-23)31-19-20-8-4-2-5-9-20/h2,4-5,8-9,12-18,21H,3,6-7,10-11,19H2,1H3/b17-12+