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

Systemtic Name: 4-(4-oxidanyl-4-oxidanylidene-butyl)-8-[(E)-2-[4-(3-phenylpropoxy)phenyl]ethenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Openeye Name: 4-(4-hydroxy-4-oxo-butyl)-8-[(E)-2-[4-(3-phenylpropoxy)phenyl]vinyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid CAS Name: 4-(4-hydroxy-4-oxobutyl)-8-[(E)-2-[4-(3-phenylpropoxy)phenyl]ethenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid IUPAC Name: 4-(4-hydroxy-4-oxobutyl)-8-[(E)-2-[4-(3-phenylpropoxy)phenyl]ethenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Traditional Name: 4-(4-hydroxy-4-keto-butyl)-8-[(E)-2-[4-(3-phenylpropoxy)phenyl]vinyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Formula: C30H31NO6 MolecularWeight: 501.57024

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=C(C=CC=C2N1CCCC(=O)O)C=CC3=CC=C(C=C3)OCCCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1C(OC2=C(C=CC=C2N1CCCC(=O)O)/C=C/C3=CC=C(C=C3)OCCCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C30H31NO6/c32-28(33)12-5-19-31-21-27(30(34)35)37-29-24(10-4-11-26(29)31)16-13-23-14-17-25(18-15-23)36-20-6-9-22-7-2-1-3-8-22/h1-4,7-8,10-11,13-18,27H,5-6,9,12,19-21H2,(H,32,33)(H,34,35)/b16-13+