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

Systemtic Name: 2-methoxyethyl (E)-2-cyano-3-[3-(3-methylphenyl)-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: 2-methoxyethyl (E)-3-[1-benzyl-3-(m-tolyl)pyrazol-4-yl]-2-cyano-prop-2-enoate CAS Name: (E)-2-cyano-3-[3-(3-methylphenyl)-1-(phenylmethyl)-4-pyrazolyl]-2-propenoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (E)-3-[1-benzyl-3-(3-methylphenyl)pyrazol-4-yl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[1-benzyl-3-(m-tolyl)pyrazol-4-yl]-2-cyano-acrylic acid 2-methoxyethyl ester Formula: C24H23N3O3 MolecularWeight: 401.45772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23N3O3/c1-18-7-6-10-20(13-18)23-22(14-21(15-25)24(28)30-12-11-29-2)17-27(26-23)16-19-8-4-3-5-9-19/h3-10,13-14,17H,11-12,16H2,1-2H3/b21-14+