(2,6-dimethyl-4-phenylmethoxycarbonyl-phenyl) 3-[1-oxidanyl-2-(4-phenylmethoxyphenyl)ethyl]acridine-9-carboxylate

Systemtic Name: (2,6-dimethyl-4-phenylmethoxycarbonyl-phenyl) 3-[1-oxidanyl-2-(4-phenylmethoxyphenyl)ethyl]acridine-9-carboxylate Openeye Name: (4-benzyloxycarbonyl-2,6-dimethyl-phenyl) 3-[2-(4-benzyloxyphenyl)-1-hydroxy-ethyl]acridine-9-carboxylate CAS Name: 3-[1-hydroxy-2-(4-phenylmethoxyphenyl)ethyl]-9-acridinecarboxylic acid (2,6-dimethyl-4-phenylmethoxycarbonylphenyl) ester IUPAC Name: (2,6-dimethyl-4-phenylmethoxycarbonylphenyl) 3-[1-hydroxy-2-(4-phenylmethoxyphenyl)ethyl]acridine-9-carboxylate Traditional Name: 3-[2-(4-benzoxyphenyl)-1-hydroxy-ethyl]acridine-9-carboxylic acid (4-carbobenzoxy-2,6-dimethyl-phenyl) ester Formula: C45H37NO6 MolecularWeight: 687.77838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(=O)C2=C3C=CC(=CC3=NC4=CC=CC=C42)C(CC5=CC=C(C=C5)OCC6=CC=CC=C6)O)C)C(=O)OCC7=CC=CC=C7

Isomeric SMILES

CC1=CC(=CC(=C1OC(=O)C2=C3C=CC(=CC3=NC4=CC=CC=C42)C(CC5=CC=C(C=C5)OCC6=CC=CC=C6)O)C)C(=O)OCC7=CC=CC=C7

InChI

InChI=1S/C45H37NO6/c1-29-23-35(44(48)51-28-33-13-7-4-8-14-33)24-30(2)43(29)52-45(49)42-37-15-9-10-16-39(37)46-40-26-34(19-22-38(40)42)41(47)25-31-17-20-36(21-18-31)50-27-32-11-5-3-6-12-32/h3-24,26,41,47H,25,27-28H2,1-2H3