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

Systemtic Name: ethyl 5-[4-[[[2,4-bis(fluoranyl)phenyl]carbamoyl-heptyl-amino]methyl]phenoxy]pentanoate Openeye Name: ethyl 5-[4-[[(2,4-difluorophenyl)carbamoyl-heptyl-amino]methyl]phenoxy]pentanoate CAS Name: 5-[4-[[[(2,4-difluoroanilino)-oxomethyl]-heptylamino]methyl]phenoxy]pentanoic acid ethyl ester IUPAC Name: ethyl 5-[4-[[(2,4-difluorophenyl)carbamoyl-heptylamino]methyl]phenoxy]pentanoate Traditional Name: 5-[4-[[(2,4-difluorophenyl)carbamoyl-heptyl-amino]methyl]phenoxy]valeric acid ethyl ester Formula: C28H38F2N2O4 MolecularWeight: 504.609126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(CC1=CC=C(C=C1)OCCCCC(=O)OCC)C(=O)NC2=C(C=C(C=C2)F)F

Isomeric SMILES

CCCCCCCN(CC1=CC=C(C=C1)OCCCCC(=O)OCC)C(=O)NC2=C(C=C(C=C2)F)F

InChI

InChI=1S/C28H38F2N2O4/c1-3-5-6-7-9-18-32(28(34)31-26-17-14-23(29)20-25(26)30)21-22-12-15-24(16-13-22)36-19-10-8-11-27(33)35-4-2/h12-17,20H,3-11,18-19,21H2,1-2H3,(H,31,34)