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

Systemtic Name: 2-methoxyethyl (E)-2-cyano-3-[3-(3,4-dimethylphenyl)-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: 2-methoxyethyl (E)-3-[1-benzyl-3-(3,4-dimethylphenyl)pyrazol-4-yl]-2-cyano-prop-2-enoate CAS Name: (E)-2-cyano-3-[3-(3,4-dimethylphenyl)-1-(phenylmethyl)-4-pyrazolyl]-2-propenoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (E)-3-[1-benzyl-3-(3,4-dimethylphenyl)pyrazol-4-yl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[1-benzyl-3-(3,4-dimethylphenyl)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:

CC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)OCCOC)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C=C2/C=C(\C#N)/C(=O)OCCOC)CC3=CC=CC=C3)C

InChI

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