2-[4-butoxy-3-(5-phenyl-1,3-benzoxazol-2-yl)phenyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid

Systemtic Name: 2-[4-butoxy-3-(5-phenyl-1,3-benzoxazol-2-yl)phenyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid Openeye Name: 2-[4-butoxy-3-(5-phenyl-1,3-benzoxazol-2-yl)phenyl]-1,3-dioxo-isoindoline-5-carboxylic acid CAS Name: 2-[4-butoxy-3-(5-phenyl-1,3-benzoxazol-2-yl)phenyl]-1,3-dioxo-5-isoindolecarboxylic acid IUPAC Name: 2-[4-butoxy-3-(5-phenyl-1,3-benzoxazol-2-yl)phenyl]-1,3-dioxoisoindole-5-carboxylic acid Traditional Name: 2-[4-butoxy-3-(5-phenyl-1,3-benzoxazol-2-yl)phenyl]-1,3-diketo-isoindoline-5-carboxylic acid Formula: C32H24N2O6 MolecularWeight: 532.54276

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O)C4=NC5=C(O4)C=CC(=C5)C6=CC=CC=C6

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O)C4=NC5=C(O4)C=CC(=C5)C6=CC=CC=C6

InChI

InChI=1S/C32H24N2O6/c1-2-3-15-39-27-14-11-22(34-30(35)23-12-9-21(32(37)38)16-24(23)31(34)36)18-25(27)29-33-26-17-20(10-13-28(26)40-29)19-7-5-4-6-8-19/h4-14,16-18H,2-3,15H2,1H3,(H,37,38)