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

Systemtic Name: [2-(4-ethylphenyl)-2-oxidanylidene-ethyl] (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoate Openeye Name: [2-(4-ethylphenyl)-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-(4-ethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethylphenyl)-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-(4-ethylphenyl)-2-keto-ethyl] ester Formula: C24H24N2O3 MolecularWeight: 388.45896

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)COC(=O)C=CC2=C(N(N=C2C)C3=CC=CC=C3)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)COC(=O)/C=C/C2=C(N(N=C2C)C3=CC=CC=C3)C

InChI

InChI=1S/C24H24N2O3/c1-4-19-10-12-20(13-11-19)23(27)16-29-24(28)15-14-22-17(2)25-26(18(22)3)21-8-6-5-7-9-21/h5-15H,4,16H2,1-3H3/b15-14+