[4-(4-cyanophenyl)phenyl] adamantane-1-carboxylate

Systemtic Name: [4-(4-cyanophenyl)phenyl] adamantane-1-carboxylate Openeye Name: [4-(4-cyanophenyl)phenyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [4-(4-cyanophenyl)phenyl] ester IUPAC Name: [4-(4-cyanophenyl)phenyl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [4-(4-cyanophenyl)phenyl] ester Formula: C24H23NO2 MolecularWeight: 357.44492

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)OC4=CC=C(C=C4)C5=CC=C(C=C5)C#N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)OC4=CC=C(C=C4)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C24H23NO2/c25-15-16-1-3-20(4-2-16)21-5-7-22(8-6-21)27-23(26)24-12-17-9-18(13-24)11-19(10-17)14-24/h1-8,17-19H,9-14H2