(1-methylpiperidin-4-yl) 5-methyl-2-oxidanyl-2-propan-2-yl-hex-5-en-3-ynoate

Systemtic Name: (1-methylpiperidin-4-yl) 5-methyl-2-oxidanyl-2-propan-2-yl-hex-5-en-3-ynoate Openeye Name: (1-methyl-4-piperidyl) 2-hydroxy-2-isopropyl-5-methyl-hex-5-en-3-ynoate CAS Name: 2-hydroxy-5-methyl-2-propan-2-ylhex-5-en-3-ynoic acid (1-methyl-4-piperidinyl) ester IUPAC Name: (1-methylpiperidin-4-yl) 2-hydroxy-5-methyl-2-propan-2-ylhex-5-en-3-ynoate Traditional Name: 2-hydroxy-2-isopropyl-5-methyl-hex-5-en-3-ynoic acid (1-methyl-4-piperidyl) ester Formula: C16H25NO3 MolecularWeight: 279.3746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C#CC(=C)C)(C(=O)OC1CCN(CC1)C)O

Isomeric SMILES

CC(C)C(C#CC(=C)C)(C(=O)OC1CCN(CC1)C)O

InChI

InChI=1S/C16H25NO3/c1-12(2)6-9-16(19,13(3)4)15(18)20-14-7-10-17(5)11-8-14/h13-14,19H,1,7-8,10-11H2,2-5H3