2-[3-[1,3-bis(oxidanylidene)-5-phenylmethoxycarbonyl-isoindol-2-yl]phenyl]-1,3-benzoxazole-6-carboxylic acid

Systemtic Name: 2-[3-[1,3-bis(oxidanylidene)-5-phenylmethoxycarbonyl-isoindol-2-yl]phenyl]-1,3-benzoxazole-6-carboxylic acid Openeye Name: 2-[3-(5-benzyloxycarbonyl-1,3-dioxo-isoindolin-2-yl)phenyl]-1,3-benzoxazole-6-carboxylic acid CAS Name: 2-[3-(1,3-dioxo-5-phenylmethoxycarbonyl-2-isoindolyl)phenyl]-1,3-benzoxazole-6-carboxylic acid IUPAC Name: 2-[3-(1,3-dioxo-5-phenylmethoxycarbonylisoindol-2-yl)phenyl]-1,3-benzoxazole-6-carboxylic acid Traditional Name: 2-[3-(5-carbobenzoxy-1,3-diketo-isoindolin-2-yl)phenyl]-1,3-benzoxazole-6-carboxylic acid Formula: C30H18N2O7 MolecularWeight: 518.47312

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=CC(=C4)C5=NC6=C(O5)C=C(C=C6)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=CC(=C4)C5=NC6=C(O5)C=C(C=C6)C(=O)O

InChI

InChI=1S/C30H18N2O7/c33-27-22-11-9-20(30(37)38-16-17-5-2-1-3-6-17)14-23(22)28(34)32(27)21-8-4-7-18(13-21)26-31-24-12-10-19(29(35)36)15-25(24)39-26/h1-15H,16H2,(H,35,36)