(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-oxidanyl-2-phenyl-hex-3-ynoate

Systemtic Name: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-oxidanyl-2-phenyl-hex-3-ynoate Openeye Name: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2-phenyl-hex-3-ynoate CAS Name: 2-hydroxy-2-phenyl-3-hexynoic acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester IUPAC Name: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2-phenylhex-3-ynoate Traditional Name: 2-hydroxy-2-phenyl-hex-3-ynoic acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester Formula: C20H25NO3 MolecularWeight: 327.4174

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CC(C1=CC=CC=C1)(C(=O)OC2CC3CCC(C2)N3C)O

Isomeric SMILES

CCC#CC(C1=CC=CC=C1)(C(=O)OC2CC3CCC(C2)N3C)O

InChI

InChI=1S/C20H25NO3/c1-3-4-12-20(23,15-8-6-5-7-9-15)19(22)24-18-13-16-10-11-17(14-18)21(16)2/h5-9,16-18,23H,3,10-11,13-14H2,1-2H3