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

Systemtic Name: (2,6-dimethyl-4-phenylmethoxycarbonyl-phenyl) 3-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]acridine-9-carboxylate Openeye Name: (4-benzyloxycarbonyl-2,6-dimethyl-phenyl) 3-[(1,3-dioxoisoindolin-2-yl)methyl]acridine-9-carboxylate CAS Name: 3-[(1,3-dioxo-2-isoindolyl)methyl]-9-acridinecarboxylic acid (2,6-dimethyl-4-phenylmethoxycarbonylphenyl) ester IUPAC Name: (2,6-dimethyl-4-phenylmethoxycarbonylphenyl) 3-[(1,3-dioxoisoindol-2-yl)methyl]acridine-9-carboxylate Traditional Name: 3-(phthalimidomethyl)acridine-9-carboxylic acid (4-carbobenzoxy-2,6-dimethyl-phenyl) ester Formula: C39H28N2O6 MolecularWeight: 620.64942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(=O)C2=C3C=CC(=CC3=NC4=CC=CC=C42)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=NC4=CC=CC=C42)CN5C(=O)C6=CC=CC=C6C5=O)C)C(=O)OCC7=CC=CC=C7

InChI

InChI=1S/C39H28N2O6/c1-23-18-27(38(44)46-22-25-10-4-3-5-11-25)19-24(2)35(23)47-39(45)34-30-14-8-9-15-32(30)40-33-20-26(16-17-31(33)34)21-41-36(42)28-12-6-7-13-29(28)37(41)43/h3-20H,21-22H2,1-2H3