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

Systemtic Name: (4-methylpiperidin-1-yl) 2-oxidanyl-2-phenyl-oct-3-ynoate Openeye Name: (4-methyl-1-piperidyl) 2-hydroxy-2-phenyl-oct-3-ynoate CAS Name: 2-hydroxy-2-phenyl-3-octynoic acid (4-methyl-1-piperidinyl) ester IUPAC Name: (4-methylpiperidin-1-yl) 2-hydroxy-2-phenyloct-3-ynoate Traditional Name: 2-hydroxy-2-phenyl-oct-3-ynoic acid (4-methylpiperidino) ester Formula: C20H27NO3 MolecularWeight: 329.43328

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC(C1=CC=CC=C1)(C(=O)ON2CCC(CC2)C)O

Isomeric SMILES

CCCCC#CC(C1=CC=CC=C1)(C(=O)ON2CCC(CC2)C)O

InChI

InChI=1S/C20H27NO3/c1-3-4-5-9-14-20(23,18-10-7-6-8-11-18)19(22)24-21-15-12-17(2)13-16-21/h6-8,10-11,17,23H,3-5,12-13,15-16H2,1-2H3