(2-butoxy-2-oxidanylidene-ethyl) (E)-3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: (2-butoxy-2-oxidanylidene-ethyl) (E)-3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: (2-butoxy-2-oxo-ethyl) (E)-3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid (2-butoxy-2-oxoethyl) ester IUPAC Name: (2-butoxy-2-oxoethyl) (E)-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: (E)-3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]acrylic acid (2-butoxy-2-keto-ethyl) ester Formula: C25H26N2O5 MolecularWeight: 434.48434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N2O5/c1-3-4-16-31-24(29)18-32-23(28)15-12-20-17-27(21-8-6-5-7-9-21)26-25(20)19-10-13-22(30-2)14-11-19/h5-15,17H,3-4,16,18H2,1-2H3/b15-12+