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

Systemtic Name: [2-(4-butylphenyl)-2-oxidanylidene-ethyl] (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoate Openeye Name: [2-(4-butylphenyl)-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-butylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-butylphenyl)-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-butylphenyl)-2-keto-ethyl] ester Formula: C26H28N2O3 MolecularWeight: 416.51212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)COC(=O)C=CC2=C(N(N=C2C)C3=CC=CC=C3)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)COC(=O)/C=C/C2=C(N(N=C2C)C3=CC=CC=C3)C

InChI

InChI=1S/C26H28N2O3/c1-4-5-9-21-12-14-22(15-13-21)25(29)18-31-26(30)17-16-24-19(2)27-28(20(24)3)23-10-7-6-8-11-23/h6-8,10-17H,4-5,9,18H2,1-3H3/b17-16+