ethyl 1-[[2,6-bis(fluoranyl)phenyl]methyl]-6-[4-(methylcarbamoyl)phenoxy]-5-[[methyl-(phenylmethyl)amino]methyl]-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 1-[[2,6-bis(fluoranyl)phenyl]methyl]-6-[4-(methylcarbamoyl)phenoxy]-5-[[methyl-(phenylmethyl)amino]methyl]-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 5-[[benzyl(methyl)amino]methyl]-1-[(2,6-difluorophenyl)methyl]-6-[4-(methylcarbamoyl)phenoxy]-4-oxo-quinoline-3-carboxylate CAS Name: 1-[(2,6-difluorophenyl)methyl]-6-[4-(methylcarbamoyl)phenoxy]-5-[[methyl-(phenylmethyl)amino]methyl]-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[benzyl(methyl)amino]methyl]-1-[(2,6-difluorophenyl)methyl]-6-[4-(methylcarbamoyl)phenoxy]-4-oxoquinoline-3-carboxylate Traditional Name: 5-[[benzyl(methyl)amino]methyl]-1-(2,6-difluorobenzyl)-4-keto-6-[4-(methylcarbamoyl)phenoxy]quinoline-3-carboxylic acid ethyl ester Formula: C36H33F2N3O5 MolecularWeight: 625.661126

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=C(C1=O)C(=C(C=C2)OC3=CC=C(C=C3)C(=O)NC)CN(C)CC4=CC=CC=C4)CC5=C(C=CC=C5F)F

Isomeric SMILES

CCOC(=O)C1=CN(C2=C(C1=O)C(=C(C=C2)OC3=CC=C(C=C3)C(=O)NC)CN(C)CC4=CC=CC=C4)CC5=C(C=CC=C5F)F

InChI

InChI=1S/C36H33F2N3O5/c1-4-45-36(44)28-22-41(21-26-29(37)11-8-12-30(26)38)31-17-18-32(46-25-15-13-24(14-16-25)35(43)39-2)27(33(31)34(28)42)20-40(3)19-23-9-6-5-7-10-23/h5-18,22H,4,19-21H2,1-3H3,(H,39,43)