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

Systemtic Name: 2-methoxyethyl (E)-2-cyano-3-[3-(3-methylphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: 2-methoxyethyl (E)-2-cyano-3-[3-(m-tolyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate CAS Name: (E)-2-cyano-3-[3-(3-methylphenyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (E)-2-cyano-3-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[3-(m-tolyl)-1-phenyl-pyrazol-4-yl]acrylic acid 2-methoxyethyl ester Formula: C23H21N3O3 MolecularWeight: 387.43114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O3/c1-17-7-6-8-18(13-17)22-20(14-19(15-24)23(27)29-12-11-28-2)16-26(25-22)21-9-4-3-5-10-21/h3-10,13-14,16H,11-12H2,1-2H3/b19-14+