[6-hexyl-4-oxidanylidene-3-(1-phenylpyrazol-4-yl)-2-(trifluoromethyl)chromen-7-yl] ethanoate

Systemtic Name: [6-hexyl-4-oxidanylidene-3-(1-phenylpyrazol-4-yl)-2-(trifluoromethyl)chromen-7-yl] ethanoate Openeye Name: [6-hexyl-4-oxo-3-(1-phenylpyrazol-4-yl)-2-(trifluoromethyl)chromen-7-yl] acetate CAS Name: acetic acid [6-hexyl-4-oxo-3-(1-phenyl-4-pyrazolyl)-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [6-hexyl-4-oxo-3-(1-phenylpyrazol-4-yl)-2-(trifluoromethyl)chromen-7-yl] acetate Traditional Name: acetic acid [6-hexyl-4-keto-3-(1-phenylpyrazol-4-yl)-2-(trifluoromethyl)chromen-7-yl] ester Formula: C27H25F3N2O4 MolecularWeight: 498.49361

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C(F)(F)F)C3=CN(N=C3)C4=CC=CC=C4)OC(=O)C

Isomeric SMILES

CCCCCCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C(F)(F)F)C3=CN(N=C3)C4=CC=CC=C4)OC(=O)C

InChI

InChI=1S/C27H25F3N2O4/c1-3-4-5-7-10-18-13-21-23(14-22(18)35-17(2)33)36-26(27(28,29)30)24(25(21)34)19-15-31-32(16-19)20-11-8-6-9-12-20/h6,8-9,11-16H,3-5,7,10H2,1-2H3