(1-methylpiperidin-4-yl) 5-methyl-2-oxidanyl-2-phenyl-hept-3-ynoate

Systemtic Name: (1-methylpiperidin-4-yl) 5-methyl-2-oxidanyl-2-phenyl-hept-3-ynoate Openeye Name: (1-methyl-4-piperidyl) 2-hydroxy-5-methyl-2-phenyl-hept-3-ynoate CAS Name: 2-hydroxy-5-methyl-2-phenyl-3-heptynoic acid (1-methyl-4-piperidinyl) ester IUPAC Name: (1-methylpiperidin-4-yl) 2-hydroxy-5-methyl-2-phenylhept-3-ynoate Traditional Name: 2-hydroxy-5-methyl-2-phenyl-hept-3-ynoic acid (1-methyl-4-piperidyl) ester Formula: C20H27NO3 MolecularWeight: 329.43328

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C#CC(C1=CC=CC=C1)(C(=O)OC2CCN(CC2)C)O

Isomeric SMILES

CCC(C)C#CC(C1=CC=CC=C1)(C(=O)OC2CCN(CC2)C)O

InChI

InChI=1S/C20H27NO3/c1-4-16(2)10-13-20(23,17-8-6-5-7-9-17)19(22)24-18-11-14-21(3)15-12-18/h5-9,16,18,23H,4,11-12,14-15H2,1-3H3