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

Systemtic Name: 2-methoxyethyl (E)-2-cyano-3-[3-(4-ethylphenyl)-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: 2-methoxyethyl (E)-3-[1-benzyl-3-(4-ethylphenyl)pyrazol-4-yl]-2-cyano-prop-2-enoate CAS Name: (E)-2-cyano-3-[3-(4-ethylphenyl)-1-(phenylmethyl)-4-pyrazolyl]-2-propenoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (E)-3-[1-benzyl-3-(4-ethylphenyl)pyrazol-4-yl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[1-benzyl-3-(4-ethylphenyl)pyrazol-4-yl]-2-cyano-acrylic acid 2-methoxyethyl ester Formula: C25H25N3O3 MolecularWeight: 415.4843

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)OCCOC)CC3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NN(C=C2/C=C(\C#N)/C(=O)OCCOC)CC3=CC=CC=C3

InChI

InChI=1S/C25H25N3O3/c1-3-19-9-11-21(12-10-19)24-23(15-22(16-26)25(29)31-14-13-30-2)18-28(27-24)17-20-7-5-4-6-8-20/h4-12,15,18H,3,13-14,17H2,1-2H3/b22-15+