4-(4-oxidanyl-4-oxidanylidene-butyl)-8-[[4-(4-phenoxybutoxy)phenyl]carbonylamino]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid

Systemtic Name: 4-(4-oxidanyl-4-oxidanylidene-butyl)-8-[[4-(4-phenoxybutoxy)phenyl]carbonylamino]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Openeye Name: 4-(4-hydroxy-4-oxo-butyl)-8-[[4-(4-phenoxybutoxy)benzoyl]amino]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid CAS Name: 4-(4-hydroxy-4-oxobutyl)-8-[[oxo-[4-(4-phenoxybutoxy)phenyl]methyl]amino]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid IUPAC Name: 4-(4-hydroxy-4-oxobutyl)-8-[[4-(4-phenoxybutoxy)benzoyl]amino]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Traditional Name: 4-(4-hydroxy-4-keto-butyl)-8-[[4-(4-phenoxybutoxy)benzoyl]amino]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Formula: C30H32N2O8 MolecularWeight: 548.58368

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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)OCCCCOC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1C(OC2=C(N1CCCC(=O)O)C=CC=C2NC(=O)C3=CC=C(C=C3)OCCCCOC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C30H32N2O8/c33-27(34)12-7-17-32-20-26(30(36)37)40-28-24(10-6-11-25(28)32)31-29(35)21-13-15-23(16-14-21)39-19-5-4-18-38-22-8-2-1-3-9-22/h1-3,6,8-11,13-16,26H,4-5,7,12,17-20H2,(H,31,35)(H,33,34)(H,36,37)