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

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

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)C(=CC1=CN(N=C1C2=CC=CC=C2)CC3=CC=CC=C3)C#N

Isomeric SMILES

COCCOC(=O)/C(=C/C1=CN(N=C1C2=CC=CC=C2)CC3=CC=CC=C3)/C#N

InChI

InChI=1S/C23H21N3O3/c1-28-12-13-29-23(27)20(15-24)14-21-17-26(16-18-8-4-2-5-9-18)25-22(21)19-10-6-3-7-11-19/h2-11,14,17H,12-13,16H2,1H3/b20-14+