ethyl 4-(4-fluoranyl-3-phenoxy-phenyl)-5-(hydroxymethyl)-2,6-di(propan-2-yl)pyridine-3-carboxylate

Systemtic Name: ethyl 4-(4-fluoranyl-3-phenoxy-phenyl)-5-(hydroxymethyl)-2,6-di(propan-2-yl)pyridine-3-carboxylate Openeye Name: ethyl 4-(4-fluoro-3-phenoxy-phenyl)-5-(hydroxymethyl)-2,6-diisopropyl-pyridine-3-carboxylate CAS Name: 4-(4-fluoro-3-phenoxyphenyl)-5-(hydroxymethyl)-2,6-di(propan-2-yl)-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-fluoro-3-phenoxyphenyl)-5-(hydroxymethyl)-2,6-di(propan-2-yl)pyridine-3-carboxylate Traditional Name: 4-(4-fluoro-3-phenoxy-phenyl)-2,6-diisopropyl-5-methylol-nicotinic acid ethyl ester Formula: C27H30FNO4 MolecularWeight: 451.529803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N=C1C(C)C)C(C)C)CO)C2=CC(=C(C=C2)F)OC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N=C1C(C)C)C(C)C)CO)C2=CC(=C(C=C2)F)OC3=CC=CC=C3

InChI

InChI=1S/C27H30FNO4/c1-6-32-27(31)24-23(20(15-30)25(16(2)3)29-26(24)17(4)5)18-12-13-21(28)22(14-18)33-19-10-8-7-9-11-19/h7-14,16-17,30H,6,15H2,1-5H3