(2-chloranyl-6-fluoranyl-phenyl)methyl 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate Openeye Name: (2-chloro-6-fluoro-phenyl)methyl 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate CAS Name: 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid (2-chloro-6-fluorophenyl)methyl ester IUPAC Name: (2-chloro-6-fluorophenyl)methyl 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate Traditional Name: 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid (2-chloro-6-fluoro-benzyl) ester Formula: C25H25ClFNO2 MolecularWeight: 425.922903

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)OCC4=C(C=CC=C4Cl)F

Isomeric SMILES

CC(C)(C)C1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)OCC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C25H25ClFNO2/c1-25(2,3)15-11-12-22-17(13-15)23(16-7-4-5-10-21(16)28-22)24(29)30-14-18-19(26)8-6-9-20(18)27/h4-10,15H,11-14H2,1-3H3