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

Systemtic Name: 4-(4-oxidanyl-4-oxidanylidene-butyl)-8-[[4-(4-phenoxybutyl)phenyl]methoxy]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Openeye Name: 4-(4-hydroxy-4-oxo-butyl)-8-[[4-(4-phenoxybutyl)phenyl]methoxy]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid CAS Name: 4-(4-hydroxy-4-oxobutyl)-8-[[4-(4-phenoxybutyl)phenyl]methoxy]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid IUPAC Name: 4-(4-hydroxy-4-oxobutyl)-8-[[4-(4-phenoxybutyl)phenyl]methoxy]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Traditional Name: 4-(4-hydroxy-4-keto-butyl)-8-[4-(4-phenoxybutyl)benzyl]oxy-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Formula: C30H33NO7 MolecularWeight: 519.58552

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=C(N1CCCC(=O)O)C=CC=C2OCC3=CC=C(C=C3)CCCCOC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1C(OC2=C(N1CCCC(=O)O)C=CC=C2OCC3=CC=C(C=C3)CCCCOC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C30H33NO7/c32-28(33)13-7-18-31-20-27(30(34)35)38-29-25(31)11-6-12-26(29)37-21-23-16-14-22(15-17-23)8-4-5-19-36-24-9-2-1-3-10-24/h1-3,6,9-12,14-17,27H,4-5,7-8,13,18-21H2,(H,32,33)(H,34,35)