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

Systemtic Name: (1-methylpiperidin-4-yl) 2-oxidanyl-2-phenyl-hex-3-ynoate Openeye Name: (1-methyl-4-piperidyl) 2-hydroxy-2-phenyl-hex-3-ynoate CAS Name: 2-hydroxy-2-phenyl-3-hexynoic acid (1-methyl-4-piperidinyl) ester IUPAC Name: (1-methylpiperidin-4-yl) 2-hydroxy-2-phenylhex-3-ynoate Traditional Name: 2-hydroxy-2-phenyl-hex-3-ynoic acid (1-methyl-4-piperidyl) ester Formula: C18H23NO3 MolecularWeight: 301.38012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO3/c1-3-4-12-18(21,15-8-6-5-7-9-15)17(20)22-16-10-13-19(2)14-11-16/h5-9,16,21H,3,10-11,13-14H2,1-2H3