1-(6-phenoxypyridin-2-yl)ethyl 3-methyl-2-propan-2-yl-pent-4-ynoate

Systemtic Name: 1-(6-phenoxypyridin-2-yl)ethyl 3-methyl-2-propan-2-yl-pent-4-ynoate Openeye Name: 1-(6-phenoxy-2-pyridyl)ethyl 2-isopropyl-3-methyl-pent-4-ynoate CAS Name: 3-methyl-2-propan-2-yl-4-pentynoic acid 1-(6-phenoxy-2-pyridinyl)ethyl ester IUPAC Name: 1-(6-phenoxypyridin-2-yl)ethyl 3-methyl-2-propan-2-ylpent-4-ynoate Traditional Name: 2-isopropyl-3-methyl-pent-4-ynoic acid 1-(6-phenoxy-2-pyridyl)ethyl ester Formula: C22H25NO3 MolecularWeight: 351.4388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO3/c1-6-16(4)21(15(2)3)22(24)25-17(5)19-13-10-14-20(23-19)26-18-11-8-7-9-12-18/h1,7-17,21H,2-5H3