[2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl] (E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoate

Systemtic Name: [2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl] (E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoate Openeye Name: [2-(4-tert-butylphenyl)-2-oxo-ethyl] (E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-(1,3,5-trimethyl-4-pyrazolyl)-2-propenoic acid [2-(4-tert-butylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-tert-butylphenyl)-2-oxoethyl] (E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(1,3,5-trimethylpyrazol-4-yl)acrylic acid [2-(4-tert-butylphenyl)-2-keto-ethyl] ester Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)C=CC(=O)OCC(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC1=C(C(=NN1C)C)/C=C/C(=O)OCC(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C21H26N2O3/c1-14-18(15(2)23(6)22-14)11-12-20(25)26-13-19(24)16-7-9-17(10-8-16)21(3,4)5/h7-12H,13H2,1-6H3/b12-11+