[2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoate

Systemtic Name: [2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoate Openeye Name: [2-(1,1-dimethylpropylamino)-2-oxo-ethyl] (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-2-propenoic acid [2-(2-methylbutan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylbutan-2-ylamino)-2-oxoethyl] (E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acrylic acid [2-(tert-amylamino)-2-keto-ethyl] ester Formula: C21H27N3O3 MolecularWeight: 369.45738

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)COC(=O)C=CC1=C(N(N=C1C)C2=CC=CC=C2)C

Isomeric SMILES

CCC(C)(C)NC(=O)COC(=O)/C=C/C1=C(N(N=C1C)C2=CC=CC=C2)C

InChI

InChI=1S/C21H27N3O3/c1-6-21(4,5)22-19(25)14-27-20(26)13-12-18-15(2)23-24(16(18)3)17-10-8-7-9-11-17/h7-13H,6,14H2,1-5H3,(H,22,25)/b13-12+