3-oxidanylidenebutan-2-yl (E)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: 3-oxidanylidenebutan-2-yl (E)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: (1-methyl-2-oxo-propyl) (E)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid 3-oxobutan-2-yl ester IUPAC Name: 3-oxobutan-2-yl (E)-3-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: (E)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]acrylic acid (2-keto-1-methyl-propyl) ester Formula: C24H24N2O5 MolecularWeight: 420.45776

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)OC(=O)C=CC1=CN(N=C1C2=CC(=C(C=C2)OC)OC)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)C)OC(=O)/C=C/C1=CN(N=C1C2=CC(=C(C=C2)OC)OC)C3=CC=CC=C3

InChI

InChI=1S/C24H24N2O5/c1-16(27)17(2)31-23(28)13-11-19-15-26(20-8-6-5-7-9-20)25-24(19)18-10-12-21(29-3)22(14-18)30-4/h5-15,17H,1-4H3/b13-11+