[(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl 6-(aminocarbonylamino)hexanoate

Systemtic Name: [(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl 6-(aminocarbonylamino)hexanoate Openeye Name: [(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl 6-ureidohexanoate CAS Name: 6-(carbamoylamino)hexanoic acid [(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl ester IUPAC Name: [(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl 6-(carbamoylamino)hexanoate Traditional Name: 6-ureidohexanoic acid [(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl ester Formula: C22H25FN2O5 MolecularWeight: 416.442703

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OC(O1)C3=CC=CC=C3)COC(=O)CCCCCNC(=O)N)F

Isomeric SMILES

C1C2=CC(=CC(=C2O[C@H](O1)C3=CC=CC=C3)COC(=O)CCCCCNC(=O)N)F

InChI

InChI=1S/C22H25FN2O5/c23-18-11-16(13-28-19(26)9-5-2-6-10-25-22(24)27)20-17(12-18)14-29-21(30-20)15-7-3-1-4-8-15/h1,3-4,7-8,11-12,21H,2,5-6,9-10,13-14H2,(H3,24,25,27)/t21-/m0/s1