tert-butyl 2-[5-(cyanomethoxy)-3-methyl-1-phenyl-pyrazol-4-yl]-3,3-diphenyl-prop-2-enoate

Systemtic Name: tert-butyl 2-[5-(cyanomethoxy)-3-methyl-1-phenyl-pyrazol-4-yl]-3,3-diphenyl-prop-2-enoate Openeye Name: tert-butyl 2-[5-(cyanomethoxy)-3-methyl-1-phenyl-pyrazol-4-yl]-3,3-diphenyl-prop-2-enoate CAS Name: 2-[5-(cyanomethoxy)-3-methyl-1-phenyl-4-pyrazolyl]-3,3-diphenyl-2-propenoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[5-(cyanomethoxy)-3-methyl-1-phenylpyrazol-4-yl]-3,3-diphenylprop-2-enoate Traditional Name: 2-[5-(cyanomethoxy)-3-methyl-1-phenyl-pyrazol-4-yl]-3,3-diphenyl-acrylic acid tert-butyl ester Formula: C31H29N3O3 MolecularWeight: 491.58026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC(C)(C)C)OCC#N)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C(=C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC(C)(C)C)OCC#N)C4=CC=CC=C4

InChI

InChI=1S/C31H29N3O3/c1-22-26(29(36-21-20-32)34(33-22)25-18-12-7-13-19-25)28(30(35)37-31(2,3)4)27(23-14-8-5-9-15-23)24-16-10-6-11-17-24/h5-19H,21H2,1-4H3