[4-(4-fluorophenyl)carbonylphenyl] (5S,7R)-3-chloranyladamantane-1-carboxylate

Systemtic Name: [4-(4-fluorophenyl)carbonylphenyl] (5S,7R)-3-chloranyladamantane-1-carboxylate Openeye Name: [4-(4-fluorobenzoyl)phenyl] (5S,7R)-3-chloroadamantane-1-carboxylate CAS Name: (5S,7R)-3-chloro-1-adamantanecarboxylic acid [4-[(4-fluorophenyl)-oxomethyl]phenyl] ester IUPAC Name: [4-(4-fluorobenzoyl)phenyl] (5S,7R)-3-chloroadamantane-1-carboxylate Traditional Name: (5S,7R)-3-chloroadamantane-1-carboxylic acid [4-(4-fluorobenzoyl)phenyl] ester Formula: C24H22ClFO3 MolecularWeight: 412.881083

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Cl)C(=O)OC4=CC=C(C=C4)C(=O)C5=CC=C(C=C5)F

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)Cl)C(=O)OC4=CC=C(C=C4)C(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C24H22ClFO3/c25-24-12-15-9-16(13-24)11-23(10-15,14-24)22(28)29-20-7-3-18(4-8-20)21(27)17-1-5-19(26)6-2-17/h1-8,15-16H,9-14H2/t15-,16+,23?,24?