[cyano-(6-phenoxypyridin-2-yl)methyl] 2-propan-2-ylpent-4-ynoate

Systemtic Name: [cyano-(6-phenoxypyridin-2-yl)methyl] 2-propan-2-ylpent-4-ynoate Openeye Name: [cyano-(6-phenoxy-2-pyridyl)methyl] 2-isopropylpent-4-ynoate CAS Name: 2-propan-2-yl-4-pentynoic acid [cyano-(6-phenoxy-2-pyridinyl)methyl] ester IUPAC Name: [cyano-(6-phenoxypyridin-2-yl)methyl] 2-propan-2-ylpent-4-ynoate Traditional Name: 2-isopropylpent-4-ynoic acid [cyano-(6-phenoxy-2-pyridyl)methyl] ester Formula: C21H20N2O3 MolecularWeight: 348.3951

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC#C)C(=O)OC(C#N)C1=NC(=CC=C1)OC2=CC=CC=C2

Isomeric SMILES

CC(C)C(CC#C)C(=O)OC(C#N)C1=NC(=CC=C1)OC2=CC=CC=C2

InChI

InChI=1S/C21H20N2O3/c1-4-9-17(15(2)3)21(24)26-19(14-22)18-12-8-13-20(23-18)25-16-10-6-5-7-11-16/h1,5-8,10-13,15,17,19H,9H2,2-3H3