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

Systemtic Name: [4-[6-(4-acridin-9-ylcarbonyloxy-3,5-dimethyl-phenyl)-6-oxidanylidene-hexanoyl]-2,6-dimethyl-phenyl] acridine-9-carboxylate Openeye Name: [4-[6-[4-(acridine-9-carbonyloxy)-3,5-dimethyl-phenyl]-6-oxo-hexanoyl]-2,6-dimethyl-phenyl] acridine-9-carboxylate CAS Name: 9-acridinecarboxylic acid [4-[6-[4-[9-acridinyl(oxo)methoxy]-3,5-dimethylphenyl]-1,6-dioxohexyl]-2,6-dimethylphenyl] ester IUPAC Name: [4-[6-[4-(acridine-9-carbonyloxy)-3,5-dimethylphenyl]-6-oxohexanoyl]-2,6-dimethylphenyl] acridine-9-carboxylate Traditional Name: acridine-9-carboxylic acid [4-[6-[4-(acridine-9-carbonyloxy)-3,5-dimethyl-phenyl]-6-keto-hexanoyl]-2,6-dimethyl-phenyl] ester Formula: C50H40N2O6 MolecularWeight: 764.8624

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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)CCCCC(=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)CCCCC(=O)C5=CC(=C(C(=C5)C)OC(=O)C6=C7C=CC=CC7=NC8=CC=CC=C86)C

InChI

InChI=1S/C50H40N2O6/c1-29-25-33(26-30(2)47(29)57-49(55)45-35-15-5-9-19-39(35)51-40-20-10-6-16-36(40)45)43(53)23-13-14-24-44(54)34-27-31(3)48(32(4)28-34)58-50(56)46-37-17-7-11-21-41(37)52-42-22-12-8-18-38(42)46/h5-12,15-22,25-28H,13-14,23-24H2,1-4H3