8-[[4-[3-[2,6-bis(chloranyl)phenoxy]propoxy]phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-butyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid

Systemtic Name: 8-[[4-[3-[2,6-bis(chloranyl)phenoxy]propoxy]phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-butyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Openeye Name: 8-[[4-[3-(2,6-dichlorophenoxy)propoxy]benzoyl]amino]-4-(4-hydroxy-4-oxo-butyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid CAS Name: 8-[[[4-[3-(2,6-dichlorophenoxy)propoxy]phenyl]-oxomethyl]amino]-4-(4-hydroxy-4-oxobutyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid IUPAC Name: 8-[[4-[3-(2,6-dichlorophenoxy)propoxy]benzoyl]amino]-4-(4-hydroxy-4-oxobutyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Traditional Name: 8-[[4-[3-(2,6-dichlorophenoxy)propoxy]benzoyl]amino]-4-(4-hydroxy-4-keto-butyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Formula: C29H28Cl2N2O8 MolecularWeight: 603.44722

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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)OCCCOC4=C(C=CC=C4Cl)Cl)C(=O)O

Isomeric SMILES

C1C(OC2=C(N1CCCC(=O)O)C=CC=C2NC(=O)C3=CC=C(C=C3)OCCCOC4=C(C=CC=C4Cl)Cl)C(=O)O

InChI

InChI=1S/C29H28Cl2N2O8/c30-20-5-1-6-21(31)26(20)40-16-4-15-39-19-12-10-18(11-13-19)28(36)32-22-7-2-8-23-27(22)41-24(29(37)38)17-33(23)14-3-9-25(34)35/h1-2,5-8,10-13,24H,3-4,9,14-17H2,(H,32,36)(H,34,35)(H,37,38)