8-[(E)-2-[4-[4-(2-chloranyl-6-methyl-phenoxy)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-(2-chloranyl-6-methyl-phenoxy)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-(2-chloro-6-methyl-phenoxy)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-(2-chloro-6-methylphenoxy)butoxy]phenyl]ethenyl]-4-(4-hydroxy-4-oxobutyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid IUPAC Name: 8-[(E)-2-[4-[4-(2-chloro-6-methylphenoxy)butoxy]phenyl]ethenyl]-4-(4-hydroxy-4-oxobutyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Traditional Name: 8-[(E)-2-[4-[4-(2-chloro-6-methyl-phenoxy)butoxy]phenyl]vinyl]-4-(4-hydroxy-4-keto-butyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Formula: C32H34ClNO7 MolecularWeight: 580.06786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)Cl)OCCCCOC2=CC=C(C=C2)C=CC3=C4C(=CC=C3)N(CC(O4)C(=O)O)CCCC(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)Cl)OCCCCOC2=CC=C(C=C2)/C=C/C3=C4C(=CC=C3)N(CC(O4)C(=O)O)CCCC(=O)O

InChI

InChI=1S/C32H34ClNO7/c1-22-7-4-9-26(33)30(22)40-20-3-2-19-39-25-16-13-23(14-17-25)12-15-24-8-5-10-27-31(24)41-28(32(37)38)21-34(27)18-6-11-29(35)36/h4-5,7-10,12-17,28H,2-3,6,11,18-21H2,1H3,(H,35,36)(H,37,38)/b15-12+