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

Systemtic Name: 2-[4-methoxy-3-(5-phenyl-1,3-benzoxazol-2-yl)phenyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid Openeye Name: 2-[4-methoxy-3-(5-phenyl-1,3-benzoxazol-2-yl)phenyl]-1,3-dioxo-isoindoline-5-carboxylic acid CAS Name: 2-[4-methoxy-3-(5-phenyl-1,3-benzoxazol-2-yl)phenyl]-1,3-dioxo-5-isoindolecarboxylic acid IUPAC Name: 2-[4-methoxy-3-(5-phenyl-1,3-benzoxazol-2-yl)phenyl]-1,3-dioxoisoindole-5-carboxylic acid Traditional Name: 1,3-diketo-2-[4-methoxy-3-(5-phenyl-1,3-benzoxazol-2-yl)phenyl]isoindoline-5-carboxylic acid Formula: C29H18N2O6 MolecularWeight: 490.46302

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Descriptors Computed from Structure

Canonical SMILES:

COC1=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

COC1=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/C29H18N2O6/c1-36-24-12-9-19(31-27(32)20-10-7-18(29(34)35)13-21(20)28(31)33)15-22(24)26-30-23-14-17(8-11-25(23)37-26)16-5-3-2-4-6-16/h2-15H,1H3,(H,34,35)