2-[2-azanyl-4-[2-benzamido-3-oxidanylidene-3-(4-phenylbutylamino)propyl]phenoxy]-2-fluoranyl-ethanoate

Systemtic Name: 2-[2-azanyl-4-[2-benzamido-3-oxidanylidene-3-(4-phenylbutylamino)propyl]phenoxy]-2-fluoranyl-ethanoate Openeye Name: 2-[2-amino-4-[2-benzamido-3-oxo-3-(4-phenylbutylamino)propyl]phenoxy]-2-fluoro-acetate CAS Name: 2-[2-amino-4-[2-benzamido-3-oxo-3-(4-phenylbutylamino)propyl]phenoxy]-2-fluoroacetate IUPAC Name: 2-[2-amino-4-[2-benzamido-3-oxo-3-(4-phenylbutylamino)propyl]phenoxy]-2-fluoroacetate Traditional Name: 2-[2-amino-4-[2-benzamido-3-keto-3-(4-phenylbutylamino)propyl]phenoxy]-2-fluoro-acetate Formula: C28H29FN3O5- MolecularWeight: 506.545363

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCNC(=O)C(CC2=CC(=C(C=C2)OC(C(=O)[O-])F)N)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCCCNC(=O)C(CC2=CC(=C(C=C2)OC(C(=O)[O-])F)N)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C28H30FN3O5/c29-25(28(35)36)37-24-15-14-20(17-22(24)30)18-23(32-26(33)21-12-5-2-6-13-21)27(34)31-16-8-7-11-19-9-3-1-4-10-19/h1-6,9-10,12-15,17,23,25H,7-8,11,16,18,30H2,(H,31,34)(H,32,33)(H,35,36)/p-1