2-methoxyethyl (E)-2-cyano-3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: 2-methoxyethyl (E)-2-cyano-3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: 2-methoxyethyl (E)-2-cyano-3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate CAS Name: (E)-2-cyano-3-[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (E)-2-cyano-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]acrylic acid 2-methoxyethyl ester Formula: C23H21N3O4 MolecularWeight: 403.43054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O4/c1-28-12-13-30-23(27)18(15-24)14-19-16-26(20-6-4-3-5-7-20)25-22(19)17-8-10-21(29-2)11-9-17/h3-11,14,16H,12-13H2,1-2H3/b18-14+