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

Systemtic Name: [2-oxidanylidene-2-(4-propylphenyl)ethyl] (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoate Openeye Name: [2-oxo-2-(4-propylphenyl)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-oxo-2-(4-propylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-propylphenyl)ethyl] (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-keto-2-(4-propylphenyl)ethyl] ester Formula: C25H26N2O3 MolecularWeight: 402.48554

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)COC(=O)C=CC2=C(N(N=C2C)C3=CC=CC=C3)C

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)COC(=O)/C=C/C2=C(N(N=C2C)C3=CC=CC=C3)C

InChI

InChI=1S/C25H26N2O3/c1-4-8-20-11-13-21(14-12-20)24(28)17-30-25(29)16-15-23-18(2)26-27(19(23)3)22-9-6-5-7-10-22/h5-7,9-16H,4,8,17H2,1-3H3/b16-15+