[3,5-bis(acridin-9-ylcarbonyloxy)-4-propanoyl-phenyl] acridine-9-carboxylate

Systemtic Name: [3,5-bis(acridin-9-ylcarbonyloxy)-4-propanoyl-phenyl] acridine-9-carboxylate Openeye Name: [3,5-bis(acridine-9-carbonyloxy)-4-propanoyl-phenyl] acridine-9-carboxylate CAS Name: 9-acridinecarboxylic acid [3,5-bis[9-acridinyl(oxo)methoxy]-4-(1-oxopropyl)phenyl] ester IUPAC Name: [3,5-bis(acridine-9-carbonyloxy)-4-propanoylphenyl] acridine-9-carboxylate Traditional Name: acridine-9-carboxylic acid [3,5-bis(acridine-9-carbonyloxy)-4-propionyl-phenyl] ester Formula: C51H31N3O7 MolecularWeight: 797.80774

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C=C(C=C1OC(=O)C2=C3C=CC=CC3=NC4=CC=CC=C42)OC(=O)C5=C6C=CC=CC6=NC7=CC=CC=C75)OC(=O)C8=C9C=CC=CC9=NC1=CC=CC=C18

Isomeric SMILES

CCC(=O)C1=C(C=C(C=C1OC(=O)C2=C3C=CC=CC3=NC4=CC=CC=C42)OC(=O)C5=C6C=CC=CC6=NC7=CC=CC=C75)OC(=O)C8=C9C=CC=CC9=NC1=CC=CC=C18

InChI

InChI=1S/C51H31N3O7/c1-2-42(55)48-43(60-50(57)46-32-17-5-11-23-38(32)53-39-24-12-6-18-33(39)46)27-29(59-49(56)45-30-15-3-9-21-36(30)52-37-22-10-4-16-31(37)45)28-44(48)61-51(58)47-34-19-7-13-25-40(34)54-41-26-14-8-20-35(41)47/h3-28H,2H2,1H3