[3-(4-chlorophenyl)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 2-butan-2-yl-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: [3-(4-chlorophenyl)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 2-butan-2-yl-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: [3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 1,3-dioxo-2-sec-butyl-isoindoline-5-carboxylate CAS Name: 2-butan-2-yl-1,3-dioxo-5-isoindolecarboxylic acid [3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2-butan-2-yl-1,3-dioxoisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-sec-butyl-isoindoline-5-carboxylic acid [3-(4-chlorophenyl)-4-keto-2-(trifluoromethyl)chromen-7-yl] ester Formula: C29H19ClF3NO6 MolecularWeight: 569.91247

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OC3=CC4=C(C=C3)C(=O)C(=C(O4)C(F)(F)F)C5=CC=C(C=C5)Cl

Isomeric SMILES

CCC(C)N1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OC3=CC4=C(C=C3)C(=O)C(=C(O4)C(F)(F)F)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C29H19ClF3NO6/c1-3-14(2)34-26(36)19-10-6-16(12-21(19)27(34)37)28(38)39-18-9-11-20-22(13-18)40-25(29(31,32)33)23(24(20)35)15-4-7-17(30)8-5-15/h4-14H,3H2,1-2H3