[4-(4-cyanophenyl)phenyl] (5S,7R)-3-chloranyladamantane-1-carboxylate

Systemtic Name: [4-(4-cyanophenyl)phenyl] (5S,7R)-3-chloranyladamantane-1-carboxylate Openeye Name: [4-(4-cyanophenyl)phenyl] (5S,7R)-3-chloroadamantane-1-carboxylate CAS Name: (5S,7R)-3-chloro-1-adamantanecarboxylic acid [4-(4-cyanophenyl)phenyl] ester IUPAC Name: [4-(4-cyanophenyl)phenyl] (5S,7R)-3-chloroadamantane-1-carboxylate Traditional Name: (5S,7R)-3-chloroadamantane-1-carboxylic acid [4-(4-cyanophenyl)phenyl] ester Formula: C24H22ClNO2 MolecularWeight: 391.88998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22ClNO2/c25-24-12-17-9-18(13-24)11-23(10-17,15-24)22(27)28-21-7-5-20(6-8-21)19-3-1-16(14-26)2-4-19/h1-8,17-18H,9-13,15H2/t17-,18+,23?,24?