ethyl 2-cyano-3-[3-[4-(2-methylpropoxy)phenyl]-1-phenyl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: ethyl 2-cyano-3-[3-[4-(2-methylpropoxy)phenyl]-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: ethyl 2-cyano-3-[3-(4-isobutoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate CAS Name: 2-cyano-3-[3-[4-(2-methylpropoxy)phenyl]-1-phenyl-4-pyrazolyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl 2-cyano-3-[3-[4-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: 2-cyano-3-[3-(4-isobutoxyphenyl)-1-phenyl-pyrazol-4-yl]acrylic acid ethyl ester Formula: C25H25N3O3 MolecularWeight: 415.4843

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CN(N=C1C2=CC=C(C=C2)OCC(C)C)C3=CC=CC=C3)C#N

Isomeric SMILES

CCOC(=O)C(=CC1=CN(N=C1C2=CC=C(C=C2)OCC(C)C)C3=CC=CC=C3)C#N

InChI

InChI=1S/C25H25N3O3/c1-4-30-25(29)20(15-26)14-21-16-28(22-8-6-5-7-9-22)27-24(21)19-10-12-23(13-11-19)31-17-18(2)3/h5-14,16,18H,4,17H2,1-3H3