2-[[4-[3-[[2,4-bis(fluoranyl)phenyl]methyl-heptyl-amino]-3-oxidanylidene-propyl]phenoxy]methyl]benzoic acid

Systemtic Name: 2-[[4-[3-[[2,4-bis(fluoranyl)phenyl]methyl-heptyl-amino]-3-oxidanylidene-propyl]phenoxy]methyl]benzoic acid Openeye Name: 2-[[4-[3-[(2,4-difluorophenyl)methyl-heptyl-amino]-3-oxo-propyl]phenoxy]methyl]benzoic acid CAS Name: 2-[[4-[3-[(2,4-difluorophenyl)methyl-heptylamino]-3-oxopropyl]phenoxy]methyl]benzoic acid IUPAC Name: 2-[[4-[3-[(2,4-difluorophenyl)methyl-heptylamino]-3-oxopropyl]phenoxy]methyl]benzoic acid Traditional Name: 2-[[4-[3-[(2,4-difluorobenzyl)-heptyl-amino]-3-keto-propyl]phenoxy]methyl]benzoic acid Formula: C31H35F2NO4 MolecularWeight: 523.610706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(CC1=C(C=C(C=C1)F)F)C(=O)CCC2=CC=C(C=C2)OCC3=CC=CC=C3C(=O)O

Isomeric SMILES

CCCCCCCN(CC1=C(C=C(C=C1)F)F)C(=O)CCC2=CC=C(C=C2)OCC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C31H35F2NO4/c1-2-3-4-5-8-19-34(21-24-14-15-26(32)20-29(24)33)30(35)18-13-23-11-16-27(17-12-23)38-22-25-9-6-7-10-28(25)31(36)37/h6-7,9-12,14-17,20H,2-5,8,13,18-19,21-22H2,1H3,(H,36,37)