[4-[4-(4-acridin-9-ylcarbonyloxy-3,5-dimethyl-phenyl)-4-oxidanylidene-butanoyl]-2,6-dimethyl-phenyl] acridine-9-carboxylate

Systemtic Name: [4-[4-(4-acridin-9-ylcarbonyloxy-3,5-dimethyl-phenyl)-4-oxidanylidene-butanoyl]-2,6-dimethyl-phenyl] acridine-9-carboxylate Openeye Name: [4-[4-[4-(acridine-9-carbonyloxy)-3,5-dimethyl-phenyl]-4-oxo-butanoyl]-2,6-dimethyl-phenyl] acridine-9-carboxylate CAS Name: 9-acridinecarboxylic acid [4-[4-[4-[9-acridinyl(oxo)methoxy]-3,5-dimethylphenyl]-1,4-dioxobutyl]-2,6-dimethylphenyl] ester IUPAC Name: [4-[4-[4-(acridine-9-carbonyloxy)-3,5-dimethylphenyl]-4-oxobutanoyl]-2,6-dimethylphenyl] acridine-9-carboxylate Traditional Name: acridine-9-carboxylic acid [4-[4-[4-(acridine-9-carbonyloxy)-3,5-dimethyl-phenyl]-4-keto-butanoyl]-2,6-dimethyl-phenyl] ester Formula: C48H36N2O6 MolecularWeight: 736.80924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(=O)C2=C3C=CC=CC3=NC4=CC=CC=C42)C)C(=O)CCC(=O)C5=CC(=C(C(=C5)C)OC(=O)C6=C7C=CC=CC7=NC8=CC=CC=C86)C

Isomeric SMILES

CC1=CC(=CC(=C1OC(=O)C2=C3C=CC=CC3=NC4=CC=CC=C42)C)C(=O)CCC(=O)C5=CC(=C(C(=C5)C)OC(=O)C6=C7C=CC=CC7=NC8=CC=CC=C86)C

InChI

InChI=1S/C48H36N2O6/c1-27-23-31(24-28(2)45(27)55-47(53)43-33-13-5-9-17-37(33)49-38-18-10-6-14-34(38)43)41(51)21-22-42(52)32-25-29(3)46(30(4)26-32)56-48(54)44-35-15-7-11-19-39(35)50-40-20-12-8-16-36(40)44/h5-20,23-26H,21-22H2,1-4H3