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

Systemtic Name: 4-[8-[[4-(4-phenylbutoxy)phenyl]carbonylamino]-2-[[4-(trifluoromethyl)phenyl]sulfonylcarbamoyl]-2,3-dihydro-1,4-benzoxazin-4-yl]butanoic acid Openeye Name: 4-[8-[[4-(4-phenylbutoxy)benzoyl]amino]-2-[[4-(trifluoromethyl)phenyl]sulfonylcarbamoyl]-2,3-dihydro-1,4-benzoxazin-4-yl]butanoic acid CAS Name: 4-[8-[[oxo-[4-(4-phenylbutoxy)phenyl]methyl]amino]-2-[oxo-[[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]-2,3-dihydro-1,4-benzoxazin-4-yl]butanoic acid IUPAC Name: 4-[8-[[4-(4-phenylbutoxy)benzoyl]amino]-2-[[4-(trifluoromethyl)phenyl]sulfonylcarbamoyl]-2,3-dihydro-1,4-benzoxazin-4-yl]butanoic acid Traditional Name: 4-[8-[[4-(4-phenylbutoxy)benzoyl]amino]-2-[[4-(trifluoromethyl)phenyl]sulfonylcarbamoyl]-2,3-dihydro-1,4-benzoxazin-4-yl]butyric acid Formula: C37H36F3N3O8S MolecularWeight: 739.75725

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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)C5=CC=C(C=C5)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)C5=CC=C(C=C5)C(F)(F)F

InChI

InChI=1S/C37H36F3N3O8S/c38-37(39,40)27-16-20-29(21-17-27)52(48,49)42-36(47)32-24-43(22-7-13-33(44)45)31-12-6-11-30(34(31)51-32)41-35(46)26-14-18-28(19-15-26)50-23-5-4-10-25-8-2-1-3-9-25/h1-3,6,8-9,11-12,14-21,32H,4-5,7,10,13,22-24H2,(H,41,46)(H,42,47)(H,44,45)