(2,6-dimethyl-4-phenylmethoxycarbonyl-phenyl) 3-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-10-methyl-acridin-10-ium-9-carboxylate

Systemtic Name: (2,6-dimethyl-4-phenylmethoxycarbonyl-phenyl) 3-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-10-methyl-acridin-10-ium-9-carboxylate Openeye Name: (4-benzyloxycarbonyl-2,6-dimethyl-phenyl) 3-[(1,3-dioxoisoindolin-2-yl)methyl]-10-methyl-acridin-10-ium-9-carboxylate CAS Name: 3-[(1,3-dioxo-2-isoindolyl)methyl]-10-methyl-9-acridin-10-iumcarboxylic acid (2,6-dimethyl-4-phenylmethoxycarbonylphenyl) ester IUPAC Name: (2,6-dimethyl-4-phenylmethoxycarbonylphenyl) 3-[(1,3-dioxoisoindol-2-yl)methyl]-10-methylacridin-10-ium-9-carboxylate Traditional Name: 10-methyl-3-(phthalimidomethyl)acridin-10-ium-9-carboxylic acid (4-carbobenzoxy-2,6-dimethyl-phenyl) ester Formula: C40H31N2O6+ MolecularWeight: 635.68394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(=O)C2=C3C=CC(=CC3=[N+](C4=CC=CC=C42)C)CN5C(=O)C6=CC=CC=C6C5=O)C)C(=O)OCC7=CC=CC=C7

Isomeric SMILES

CC1=CC(=CC(=C1OC(=O)C2=C3C=CC(=CC3=[N+](C4=CC=CC=C42)C)CN5C(=O)C6=CC=CC=C6C5=O)C)C(=O)OCC7=CC=CC=C7

InChI

InChI=1S/C40H31N2O6/c1-24-19-28(39(45)47-23-26-11-5-4-6-12-26)20-25(2)36(24)48-40(46)35-31-15-9-10-16-33(31)41(3)34-21-27(17-18-32(34)35)22-42-37(43)29-13-7-8-14-30(29)38(42)44/h4-21H,22-23H2,1-3H3/q+1