ethyl 5-[3-[4-[[[2,4-bis(fluoranyl)phenyl]methyl-(2-methyl-3-nitro-phenyl)amino]methyl]phenoxy]phenoxy]pentanoate

Systemtic Name: ethyl 5-[3-[4-[[[2,4-bis(fluoranyl)phenyl]methyl-(2-methyl-3-nitro-phenyl)amino]methyl]phenoxy]phenoxy]pentanoate Openeye Name: ethyl 5-[3-[4-[[N-[(2,4-difluorophenyl)methyl]-2-methyl-3-nitro-anilino]methyl]phenoxy]phenoxy]pentanoate CAS Name: 5-[3-[4-[[N-[(2,4-difluorophenyl)methyl]-2-methyl-3-nitroanilino]methyl]phenoxy]phenoxy]pentanoic acid ethyl ester IUPAC Name: ethyl 5-[3-[4-[[N-[(2,4-difluorophenyl)methyl]-2-methyl-3-nitroanilino]methyl]phenoxy]phenoxy]pentanoate Traditional Name: 5-[3-[4-[(N-(2,4-difluorobenzyl)-2-methyl-3-nitro-anilino)methyl]phenoxy]phenoxy]valeric acid ethyl ester Formula: C34H34F2N2O6 MolecularWeight: 604.640366

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCOC1=CC=CC(=C1)OC2=CC=C(C=C2)CN(CC3=C(C=C(C=C3)F)F)C4=C(C(=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)CCCCOC1=CC=CC(=C1)OC2=CC=C(C=C2)CN(CC3=C(C=C(C=C3)F)F)C4=C(C(=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C34H34F2N2O6/c1-3-42-34(39)12-4-5-19-43-29-8-6-9-30(21-29)44-28-17-13-25(14-18-28)22-37(23-26-15-16-27(35)20-31(26)36)32-10-7-11-33(24(32)2)38(40)41/h6-11,13-18,20-21H,3-5,12,19,22-23H2,1-2H3