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

Systemtic Name: 8-[[4-[3-(2-fluoranylphenoxy)propoxy]phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-butyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Openeye Name: 8-[[4-[3-(2-fluorophenoxy)propoxy]benzoyl]amino]-4-(4-hydroxy-4-oxo-butyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid CAS Name: 8-[[[4-[3-(2-fluorophenoxy)propoxy]phenyl]-oxomethyl]amino]-4-(4-hydroxy-4-oxobutyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid IUPAC Name: 8-[[4-[3-(2-fluorophenoxy)propoxy]benzoyl]amino]-4-(4-hydroxy-4-oxobutyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Traditional Name: 8-[[4-[3-(2-fluorophenoxy)propoxy]benzoyl]amino]-4-(4-hydroxy-4-keto-butyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Formula: C29H29FN2O8 MolecularWeight: 552.547563

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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=CC=CC=C4F)C(=O)O

Isomeric SMILES

C1C(OC2=C(N1CCCC(=O)O)C=CC=C2NC(=O)C3=CC=C(C=C3)OCCCOC4=CC=CC=C4F)C(=O)O

InChI

InChI=1S/C29H29FN2O8/c30-21-6-1-2-9-24(21)39-17-5-16-38-20-13-11-19(12-14-20)28(35)31-22-7-3-8-23-27(22)40-25(29(36)37)18-32(23)15-4-10-26(33)34/h1-3,6-9,11-14,25H,4-5,10,15-18H2,(H,31,35)(H,33,34)(H,36,37)