8-[bis(fluoranyl)methoxy]-1-cyclopropyl-7-[1-methyl-2-(triphenylmethyl)-1,3-dihydroisoindol-5-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 8-[bis(fluoranyl)methoxy]-1-cyclopropyl-7-[1-methyl-2-(triphenylmethyl)-1,3-dihydroisoindol-5-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-8-(difluoromethoxy)-7-(1-methyl-2-trityl-isoindolin-5-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-8-(difluoromethoxy)-7-[1-methyl-2-(triphenylmethyl)-1,3-dihydroisoindol-5-yl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-8-(difluoromethoxy)-7-(1-methyl-2-trityl-1,3-dihydroisoindol-5-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-8-(difluoromethoxy)-4-keto-7-(1-methyl-2-trityl-isoindolin-5-yl)quinoline-3-carboxylic acid Formula: C42H34F2N2O4 MolecularWeight: 668.727166

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=C(CN1C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C=C(C=C2)C6=C(C7=C(C=C6)C(=O)C(=CN7C8CC8)C(=O)O)OC(F)F

Isomeric SMILES

CC1C2=C(CN1C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C=C(C=C2)C6=C(C7=C(C=C6)C(=O)C(=CN7C8CC8)C(=O)O)OC(F)F

InChI

InChI=1S/C42H34F2N2O4/c1-26-33-20-17-27(34-21-22-35-37(39(34)50-41(43)44)45(32-18-19-32)25-36(38(35)47)40(48)49)23-28(33)24-46(26)42(29-11-5-2-6-12-29,30-13-7-3-8-14-30)31-15-9-4-10-16-31/h2-17,20-23,25-26,32,41H,18-19,24H2,1H3,(H,48,49)