[4-(2-cyanophenyl)phenyl]methyl adamantane-2-carboxylate

Systemtic Name: [4-(2-cyanophenyl)phenyl]methyl adamantane-2-carboxylate Openeye Name: [4-(2-cyanophenyl)phenyl]methyl adamantane-2-carboxylate CAS Name: 2-adamantanecarboxylic acid [4-(2-cyanophenyl)phenyl]methyl ester IUPAC Name: [4-(2-cyanophenyl)phenyl]methyl adamantane-2-carboxylate Traditional Name: adamantane-2-carboxylic acid [4-(2-cyanophenyl)benzyl] ester Formula: C25H25NO2 MolecularWeight: 371.4715

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3C(=O)OCC4=CC=C(C=C4)C5=CC=CC=C5C#N

Isomeric SMILES

C1C2CC3CC1CC(C2)C3C(=O)OCC4=CC=C(C=C4)C5=CC=CC=C5C#N

InChI

InChI=1S/C25H25NO2/c26-14-20-3-1-2-4-23(20)19-7-5-16(6-8-19)15-28-25(27)24-21-10-17-9-18(12-21)13-22(24)11-17/h1-8,17-18,21-22,24H,9-13,15H2