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

Systemtic Name: 4-(4-oxidanyl-4-oxidanylidene-butanoyl)-8-[(E)-2-[4-(4-phenylbutoxy)phenyl]ethenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Openeye Name: 4-(4-hydroxy-4-oxo-butanoyl)-8-[(E)-2-[4-(4-phenylbutoxy)phenyl]vinyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid CAS Name: 4-(4-hydroxy-1,4-dioxobutyl)-8-[(E)-2-[4-(4-phenylbutoxy)phenyl]ethenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid IUPAC Name: 4-(4-hydroxy-4-oxobutanoyl)-8-[(E)-2-[4-(4-phenylbutoxy)phenyl]ethenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Traditional Name: 4-(4-hydroxy-4-keto-butanoyl)-8-[(E)-2-[4-(4-phenylbutoxy)phenyl]vinyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Formula: C31H31NO7 MolecularWeight: 529.58034

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=C(C=CC=C2N1C(=O)CCC(=O)O)C=CC3=CC=C(C=C3)OCCCCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1C(OC2=C(C=CC=C2N1C(=O)CCC(=O)O)/C=C/C3=CC=C(C=C3)OCCCCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C31H31NO7/c33-28(18-19-29(34)35)32-21-27(31(36)37)39-30-24(10-6-11-26(30)32)15-12-23-13-16-25(17-14-23)38-20-5-4-9-22-7-2-1-3-8-22/h1-3,6-8,10-17,27H,4-5,9,18-21H2,(H,34,35)(H,36,37)/b15-12+