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

Systemtic Name: (1-methylpiperidin-4-yl) 5-methyl-2-oxidanyl-2-phenyl-oct-3-ynoate Openeye Name: (1-methyl-4-piperidyl) 2-hydroxy-5-methyl-2-phenyl-oct-3-ynoate CAS Name: 2-hydroxy-5-methyl-2-phenyl-3-octynoic acid (1-methyl-4-piperidinyl) ester IUPAC Name: (1-methylpiperidin-4-yl) 2-hydroxy-5-methyl-2-phenyloct-3-ynoate Traditional Name: 2-hydroxy-5-methyl-2-phenyl-oct-3-ynoic acid (1-methyl-4-piperidyl) ester Formula: C21H29NO3 MolecularWeight: 343.45986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO3/c1-4-8-17(2)11-14-21(24,18-9-6-5-7-10-18)20(23)25-19-12-15-22(3)16-13-19/h5-7,9-10,17,19,24H,4,8,12-13,15-16H2,1-3H3