4-[8-[[4-(4-phenylbutoxy)phenyl]carbonylamino]-2-(trifluoromethylsulfonylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]butanoic acid

Systemtic Name: 4-[8-[[4-(4-phenylbutoxy)phenyl]carbonylamino]-2-(trifluoromethylsulfonylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]butanoic acid Openeye Name: 4-[8-[[4-(4-phenylbutoxy)benzoyl]amino]-2-(trifluoromethylsulfonylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]butanoic acid CAS Name: 4-[8-[[oxo-[4-(4-phenylbutoxy)phenyl]methyl]amino]-2-[oxo-(trifluoromethylsulfonylamino)methyl]-2,3-dihydro-1,4-benzoxazin-4-yl]butanoic acid IUPAC Name: 4-[8-[[4-(4-phenylbutoxy)benzoyl]amino]-2-(trifluoromethylsulfonylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]butanoic acid Traditional Name: 4-[8-[[4-(4-phenylbutoxy)benzoyl]amino]-2-(triflylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]butyric acid Formula: C31H32F3N3O8S MolecularWeight: 663.66129

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=C(N1CCCC(=O)O)C=CC=C2NC(=O)C3=CC=C(C=C3)OCCCCC4=CC=CC=C4)C(=O)NS(=O)(=O)C(F)(F)F

Isomeric SMILES

C1C(OC2=C(N1CCCC(=O)O)C=CC=C2NC(=O)C3=CC=C(C=C3)OCCCCC4=CC=CC=C4)C(=O)NS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C31H32F3N3O8S/c32-31(33,34)46(42,43)36-30(41)26-20-37(18-7-13-27(38)39)25-12-6-11-24(28(25)45-26)35-29(40)22-14-16-23(17-15-22)44-19-5-4-10-21-8-2-1-3-9-21/h1-3,6,8-9,11-12,14-17,26H,4-5,7,10,13,18-20H2,(H,35,40)(H,36,41)(H,38,39)