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

Systemtic Name: 8-[[4-[4-[4-(4-methoxyphenyl)phenoxy]butoxy]phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-butyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Openeye Name: 4-(4-hydroxy-4-oxo-butyl)-8-[[4-[4-[4-(4-methoxyphenyl)phenoxy]butoxy]benzoyl]amino]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid CAS Name: 4-(4-hydroxy-4-oxobutyl)-8-[[[4-[4-[4-(4-methoxyphenyl)phenoxy]butoxy]phenyl]-oxomethyl]amino]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid IUPAC Name: 4-(4-hydroxy-4-oxobutyl)-8-[[4-[4-[4-(4-methoxyphenyl)phenoxy]butoxy]benzoyl]amino]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Traditional Name: 4-(4-hydroxy-4-keto-butyl)-8-[[4-[4-[4-(4-methoxyphenyl)phenoxy]butoxy]benzoyl]amino]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Formula: C37H38N2O9 MolecularWeight: 654.70562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC=C(C=C2)OCCCCOC3=CC=C(C=C3)C(=O)NC4=CC=CC5=C4OC(CN5CCCC(=O)O)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC=C(C=C2)OCCCCOC3=CC=C(C=C3)C(=O)NC4=CC=CC5=C4OC(CN5CCCC(=O)O)C(=O)O

InChI

InChI=1S/C37H38N2O9/c1-45-28-15-9-25(10-16-28)26-11-17-29(18-12-26)46-22-2-3-23-47-30-19-13-27(14-20-30)36(42)38-31-6-4-7-32-35(31)48-33(37(43)44)24-39(32)21-5-8-34(40)41/h4,6-7,9-20,33H,2-3,5,8,21-24H2,1H3,(H,38,42)(H,40,41)(H,43,44)