5-(1-adamantyl)-4-(4-fluorophenyl)-2-propan-2-yl-pyridine-3-carboxylic acid

Systemtic Name: 5-(1-adamantyl)-4-(4-fluorophenyl)-2-propan-2-yl-pyridine-3-carboxylic acid Openeye Name: 5-(1-adamantyl)-4-(4-fluorophenyl)-2-isopropyl-pyridine-3-carboxylic acid CAS Name: 5-(1-adamantyl)-4-(4-fluorophenyl)-2-propan-2-yl-3-pyridinecarboxylic acid IUPAC Name: 5-(1-adamantyl)-4-(4-fluorophenyl)-2-propan-2-ylpyridine-3-carboxylic acid Traditional Name: 5-(1-adamantyl)-4-(4-fluorophenyl)-2-isopropyl-nicotinic acid Formula: C25H28FNO2 MolecularWeight: 393.493723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC=C(C(=C1C(=O)O)C2=CC=C(C=C2)F)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C)C1=NC=C(C(=C1C(=O)O)C2=CC=C(C=C2)F)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H28FNO2/c1-14(2)23-22(24(28)29)21(18-3-5-19(26)6-4-18)20(13-27-23)25-10-15-7-16(11-25)9-17(8-15)12-25/h3-6,13-17H,7-12H2,1-2H3,(H,28,29)