(phenylmethyl) 6-[3-(4-cyanophenoxy)-3-methyl-but-1-ynyl]pyridine-3-carboxylate

Systemtic Name: (phenylmethyl) 6-[3-(4-cyanophenoxy)-3-methyl-but-1-ynyl]pyridine-3-carboxylate Openeye Name: benzyl 6-[3-(4-cyanophenoxy)-3-methyl-but-1-ynyl]pyridine-3-carboxylate CAS Name: 6-[3-(4-cyanophenoxy)-3-methylbut-1-ynyl]-3-pyridinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-[3-(4-cyanophenoxy)-3-methylbut-1-ynyl]pyridine-3-carboxylate Traditional Name: 6-[3-(4-cyanophenoxy)-3-methyl-but-1-ynyl]nicotinic acid benzyl ester Formula: C25H20N2O3 MolecularWeight: 396.4379

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=NC=C(C=C1)C(=O)OCC2=CC=CC=C2)OC3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C)(C#CC1=NC=C(C=C1)C(=O)OCC2=CC=CC=C2)OC3=CC=C(C=C3)C#N

InChI

InChI=1S/C25H20N2O3/c1-25(2,30-23-12-8-19(16-26)9-13-23)15-14-22-11-10-21(17-27-22)24(28)29-18-20-6-4-3-5-7-20/h3-13,17H,18H2,1-2H3