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

Systemtic Name: 4-[8-[[4-(4-phenylbutoxy)phenyl]carbonylamino]-2-[[(E)-2-phenylethenyl]sulfonylcarbamoyl]-2,3-dihydro-1,4-benzoxazin-4-yl]butanoic acid Openeye Name: 4-[8-[[4-(4-phenylbutoxy)benzoyl]amino]-2-[[(E)-styryl]sulfonylcarbamoyl]-2,3-dihydro-1,4-benzoxazin-4-yl]butanoic acid CAS Name: 4-[8-[[oxo-[4-(4-phenylbutoxy)phenyl]methyl]amino]-2-[oxo-[[(E)-2-phenylethenyl]sulfonylamino]methyl]-2,3-dihydro-1,4-benzoxazin-4-yl]butanoic acid IUPAC Name: 4-[8-[[4-(4-phenylbutoxy)benzoyl]amino]-2-[[(E)-2-phenylethenyl]sulfonylcarbamoyl]-2,3-dihydro-1,4-benzoxazin-4-yl]butanoic acid Traditional Name: 4-[8-[[4-(4-phenylbutoxy)benzoyl]amino]-2-[[(E)-styryl]sulfonylcarbamoyl]-2,3-dihydro-1,4-benzoxazin-4-yl]butyric acid Formula: C38H39N3O8S MolecularWeight: 697.79656

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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)C=CC5=CC=CC=C5

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=C/C5=CC=CC=C5

InChI

InChI=1S/C38H39N3O8S/c42-35(43)18-10-24-41-27-34(38(45)40-50(46,47)26-23-29-13-5-2-6-14-29)49-36-32(16-9-17-33(36)41)39-37(44)30-19-21-31(22-20-30)48-25-8-7-15-28-11-3-1-4-12-28/h1-6,9,11-14,16-17,19-23,26,34H,7-8,10,15,18,24-25,27H2,(H,39,44)(H,40,45)(H,42,43)/b26-23+