[6-ethyl-3-(4-iodanylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 2-phenylquinoline-4-carboxylate

Systemtic Name: [6-ethyl-3-(4-iodanylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 2-phenylquinoline-4-carboxylate Openeye Name: [6-ethyl-3-(4-iodophenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2-phenylquinoline-4-carboxylate CAS Name: 2-phenyl-4-quinolinecarboxylic acid [6-ethyl-3-(4-iodophenoxy)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [6-ethyl-3-(4-iodophenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2-phenylquinoline-4-carboxylate Traditional Name: 2-phenylcinchoninic acid [6-ethyl-3-(4-iodophenoxy)-4-keto-2-(trifluoromethyl)chromen-7-yl] ester Formula: C34H21F3INO5 MolecularWeight: 707.43392

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C(F)(F)F)OC3=CC=C(C=C3)I)OC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CC=C6

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C(F)(F)F)OC3=CC=C(C=C3)I)OC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CC=C6

InChI

InChI=1S/C34H21F3INO5/c1-2-19-16-25-29(43-32(34(35,36)37)31(30(25)40)42-22-14-12-21(38)13-15-22)18-28(19)44-33(41)24-17-27(20-8-4-3-5-9-20)39-26-11-7-6-10-23(24)26/h3-18H,2H2,1H3