[4-(4-cyanophenyl)phenyl] 2-(1-adamantyl)pyridine-4-carboxylate

Systemtic Name: [4-(4-cyanophenyl)phenyl] 2-(1-adamantyl)pyridine-4-carboxylate Openeye Name: [4-(4-cyanophenyl)phenyl] 2-(1-adamantyl)pyridine-4-carboxylate CAS Name: 2-(1-adamantyl)-4-pyridinecarboxylic acid [4-(4-cyanophenyl)phenyl] ester IUPAC Name: [4-(4-cyanophenyl)phenyl] 2-(1-adamantyl)pyridine-4-carboxylate Traditional Name: 2-(1-adamantyl)isonicotinic acid [4-(4-cyanophenyl)phenyl] ester Formula: C29H26N2O2 MolecularWeight: 434.52894

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NC=CC(=C4)C(=O)OC5=CC=C(C=C5)C6=CC=C(C=C6)C#N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NC=CC(=C4)C(=O)OC5=CC=C(C=C5)C6=CC=C(C=C6)C#N

InChI

InChI=1S/C29H26N2O2/c30-18-19-1-3-23(4-2-19)24-5-7-26(8-6-24)33-28(32)25-9-10-31-27(14-25)29-15-20-11-21(16-29)13-22(12-20)17-29/h1-10,14,20-22H,11-13,15-17H2