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

Systemtic Name: 8-[(E)-2-[4-[3-(4-methylphenoxy)propoxy]phenyl]ethenyl]-4-(4-oxidanyl-4-oxidanylidene-butyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Openeye Name: 4-(4-hydroxy-4-oxo-butyl)-8-[(E)-2-[4-[3-(4-methylphenoxy)propoxy]phenyl]vinyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid CAS Name: 4-(4-hydroxy-4-oxobutyl)-8-[(E)-2-[4-[3-(4-methylphenoxy)propoxy]phenyl]ethenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid IUPAC Name: 4-(4-hydroxy-4-oxobutyl)-8-[(E)-2-[4-[3-(4-methylphenoxy)propoxy]phenyl]ethenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Traditional Name: 4-(4-hydroxy-4-keto-butyl)-8-[(E)-2-[4-[3-(4-methylphenoxy)propoxy]phenyl]vinyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Formula: C31H33NO7 MolecularWeight: 531.59622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCCOC2=CC=C(C=C2)C=CC3=C4C(=CC=C3)N(CC(O4)C(=O)O)CCCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)OCCCOC2=CC=C(C=C2)/C=C/C3=C4C(=CC=C3)N(CC(O4)C(=O)O)CCCC(=O)O

InChI

InChI=1S/C31H33NO7/c1-22-8-14-25(15-9-22)37-19-4-20-38-26-16-11-23(12-17-26)10-13-24-5-2-6-27-30(24)39-28(31(35)36)21-32(27)18-3-7-29(33)34/h2,5-6,8-17,28H,3-4,7,18-21H2,1H3,(H,33,34)(H,35,36)/b13-10+