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

Systemtic Name: methyl (E)-3-[4-bromanyl-1-cyclohexyl-5-(4-phenylmethoxyphenyl)pyrazol-3-yl]prop-2-enoate Openeye Name: methyl (E)-3-[5-(4-benzyloxyphenyl)-4-bromo-1-cyclohexyl-pyrazol-3-yl]prop-2-enoate CAS Name: (E)-3-[4-bromo-1-cyclohexyl-5-(4-phenylmethoxyphenyl)-3-pyrazolyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[4-bromo-1-cyclohexyl-5-(4-phenylmethoxyphenyl)pyrazol-3-yl]prop-2-enoate Traditional Name: (E)-3-[5-(4-benzoxyphenyl)-4-bromo-1-cyclohexyl-pyrazol-3-yl]acrylic acid methyl ester Formula: C26H27BrN2O3 MolecularWeight: 495.40818

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC1=NN(C(=C1Br)C2=CC=C(C=C2)OCC3=CC=CC=C3)C4CCCCC4

Isomeric SMILES

COC(=O)/C=C/C1=NN(C(=C1Br)C2=CC=C(C=C2)OCC3=CC=CC=C3)C4CCCCC4

InChI

InChI=1S/C26H27BrN2O3/c1-31-24(30)17-16-23-25(27)26(29(28-23)21-10-6-3-7-11-21)20-12-14-22(15-13-20)32-18-19-8-4-2-5-9-19/h2,4-5,8-9,12-17,21H,3,6-7,10-11,18H2,1H3/b17-16+