(3,3-dimethyl-2-oxidanylidene-butyl) (E)-3-[3-(2-methoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) (E)-3-[3-(2-methoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) (E)-3-[3-(2-methoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[3-(2-methoxyphenyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) (E)-3-[3-(2-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: (E)-3-[3-(2-methoxyphenyl)-1-phenyl-pyrazol-4-yl]acrylic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C25H26N2O4 MolecularWeight: 418.48494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C=CC1=CN(N=C1C2=CC=CC=C2OC)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)/C=C/C1=CN(N=C1C2=CC=CC=C2OC)C3=CC=CC=C3

InChI

InChI=1S/C25H26N2O4/c1-25(2,3)22(28)17-31-23(29)15-14-18-16-27(19-10-6-5-7-11-19)26-24(18)20-12-8-9-13-21(20)30-4/h5-16H,17H2,1-4H3/b15-14+