[cyano-(6-phenoxypyridin-2-yl)methyl] 3-methyl-2-propan-2-yl-pent-4-ynoate

Systemtic Name: [cyano-(6-phenoxypyridin-2-yl)methyl] 3-methyl-2-propan-2-yl-pent-4-ynoate Openeye Name: [cyano-(6-phenoxy-2-pyridyl)methyl] 2-isopropyl-3-methyl-pent-4-ynoate CAS Name: 3-methyl-2-propan-2-yl-4-pentynoic acid [cyano-(6-phenoxy-2-pyridinyl)methyl] ester IUPAC Name: [cyano-(6-phenoxypyridin-2-yl)methyl] 3-methyl-2-propan-2-ylpent-4-ynoate Traditional Name: 2-isopropyl-3-methyl-pent-4-ynoic acid [cyano-(6-phenoxy-2-pyridyl)methyl] ester Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O3/c1-5-16(4)21(15(2)3)22(25)27-19(14-23)18-12-9-13-20(24-18)26-17-10-7-6-8-11-17/h1,6-13,15-16,19,21H,2-4H3