2-[[3-[4-(diphenylmethyl)oxy-5-[(4-methoxyphenyl)methoxy]-1-oxidanidyl-pyridin-1-ium-2-yl]-1,2-oxazol-5-yl]methoxy]isoindole-1,3-dione

Systemtic Name: 2-[[3-[4-(diphenylmethyl)oxy-5-[(4-methoxyphenyl)methoxy]-1-oxidanidyl-pyridin-1-ium-2-yl]-1,2-oxazol-5-yl]methoxy]isoindole-1,3-dione Openeye Name: 2-[[3-[4-benzhydryloxy-5-[(4-methoxyphenyl)methoxy]-1-oxido-pyridin-1-ium-2-yl]isoxazol-5-yl]methoxy]isoindoline-1,3-dione CAS Name: 2-[[3-[4-(diphenylmethyl)oxy-5-[(4-methoxyphenyl)methoxy]-1-oxido-2-pyridin-1-iumyl]-5-isoxazolyl]methoxy]isoindole-1,3-dione IUPAC Name: 2-[[3-[4-benzhydryloxy-5-[(4-methoxyphenyl)methoxy]-1-oxidopyridin-1-ium-2-yl]-1,2-oxazol-5-yl]methoxy]isoindole-1,3-dione Traditional Name: 2-[[3-(4-benzhydryloxy-1-oxido-5-p-anisyloxy-pyridin-1-ium-2-yl)isoxazol-5-yl]methoxy]isoindoline-1,3-quinone Formula: C38H29N3O8 MolecularWeight: 655.65216

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)COC2=C[N+](=C(C=C2OC(C3=CC=CC=C3)C4=CC=CC=C4)C5=NOC(=C5)CON6C(=O)C7=CC=CC=C7C6=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)COC2=C[N+](=C(C=C2OC(C3=CC=CC=C3)C4=CC=CC=C4)C5=NOC(=C5)CON6C(=O)C7=CC=CC=C7C6=O)[O-]

InChI

InChI=1S/C38H29N3O8/c1-45-28-18-16-25(17-19-28)23-46-35-22-40(44)33(21-34(35)48-36(26-10-4-2-5-11-26)27-12-6-3-7-13-27)32-20-29(49-39-32)24-47-41-37(42)30-14-8-9-15-31(30)38(41)43/h2-22,36H,23-24H2,1H3