3-[4-[2-[[2,4-bis(fluoranyl)phenyl]carbamoylamino]ethoxy]phenyl]-2-[4-(phenylmethyl)phenoxy]propanoic acid

Systemtic Name: 3-[4-[2-[[2,4-bis(fluoranyl)phenyl]carbamoylamino]ethoxy]phenyl]-2-[4-(phenylmethyl)phenoxy]propanoic acid Openeye Name: 2-(4-benzylphenoxy)-3-[4-[2-[(2,4-difluorophenyl)carbamoylamino]ethoxy]phenyl]propanoic acid CAS Name: 3-[4-[2-[[(2,4-difluoroanilino)-oxomethyl]amino]ethoxy]phenyl]-2-[4-(phenylmethyl)phenoxy]propanoic acid IUPAC Name: 2-(4-benzylphenoxy)-3-[4-[2-[(2,4-difluorophenyl)carbamoylamino]ethoxy]phenyl]propanoic acid Traditional Name: 2-(4-benzylphenoxy)-3-[4-[2-[(2,4-difluorophenyl)carbamoylamino]ethoxy]phenyl]propionic acid Formula: C31H28F2N2O5 MolecularWeight: 546.561226

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC=C(C=C2)OC(CC3=CC=C(C=C3)OCCNC(=O)NC4=C(C=C(C=C4)F)F)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC=C(C=C2)OC(CC3=CC=C(C=C3)OCCNC(=O)NC4=C(C=C(C=C4)F)F)C(=O)O

InChI

InChI=1S/C31H28F2N2O5/c32-24-10-15-28(27(33)20-24)35-31(38)34-16-17-39-25-11-6-23(7-12-25)19-29(30(36)37)40-26-13-8-22(9-14-26)18-21-4-2-1-3-5-21/h1-15,20,29H,16-19H2,(H,36,37)(H2,34,35,38)