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

Systemtic Name: 8-[(E)-2-[4-[4-(4-fluoranylphenoxy)butoxy]phenyl]ethenyl]-4-(4-oxidanyl-4-oxidanylidene-butyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Openeye Name: 8-[(E)-2-[4-[4-(4-fluorophenoxy)butoxy]phenyl]vinyl]-4-(4-hydroxy-4-oxo-butyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid CAS Name: 8-[(E)-2-[4-[4-(4-fluorophenoxy)butoxy]phenyl]ethenyl]-4-(4-hydroxy-4-oxobutyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid IUPAC Name: 8-[(E)-2-[4-[4-(4-fluorophenoxy)butoxy]phenyl]ethenyl]-4-(4-hydroxy-4-oxobutyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Traditional Name: 8-[(E)-2-[4-[4-(4-fluorophenoxy)butoxy]phenyl]vinyl]-4-(4-hydroxy-4-keto-butyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Formula: C31H32FNO7 MolecularWeight: 549.586683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=C(C=CC=C2N1CCCC(=O)O)C=CC3=CC=C(C=C3)OCCCCOC4=CC=C(C=C4)F)C(=O)O

Isomeric SMILES

C1C(OC2=C(C=CC=C2N1CCCC(=O)O)/C=C/C3=CC=C(C=C3)OCCCCOC4=CC=C(C=C4)F)C(=O)O

InChI

InChI=1S/C31H32FNO7/c32-24-12-16-26(17-13-24)39-20-2-1-19-38-25-14-9-22(10-15-25)8-11-23-5-3-6-27-30(23)40-28(31(36)37)21-33(27)18-4-7-29(34)35/h3,5-6,8-17,28H,1-2,4,7,18-21H2,(H,34,35)(H,36,37)/b11-8+