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

Systemtic Name: (E)-3-[4-bromanyl-1-cyclohexyl-5-(4-phenylmethoxyphenyl)pyrazol-3-yl]prop-2-enoic acid Openeye Name: (E)-3-[5-(4-benzyloxyphenyl)-4-bromo-1-cyclohexyl-pyrazol-3-yl]prop-2-enoic acid CAS Name: (E)-3-[4-bromo-1-cyclohexyl-5-(4-phenylmethoxyphenyl)-3-pyrazolyl]-2-propenoic acid IUPAC Name: (E)-3-[4-bromo-1-cyclohexyl-5-(4-phenylmethoxyphenyl)pyrazol-3-yl]prop-2-enoic acid Traditional Name: (E)-3-[5-(4-benzoxyphenyl)-4-bromo-1-cyclohexyl-pyrazol-3-yl]acrylic acid Formula: C25H25BrN2O3 MolecularWeight: 481.3816

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=C(C(=N2)C=CC(=O)O)Br)C3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)N2C(=C(C(=N2)/C=C/C(=O)O)Br)C3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C25H25BrN2O3/c26-24-22(15-16-23(29)30)27-28(20-9-5-2-6-10-20)25(24)19-11-13-21(14-12-19)31-17-18-7-3-1-4-8-18/h1,3-4,7-8,11-16,20H,2,5-6,9-10,17H2,(H,29,30)/b16-15+