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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO3/c1-3-4-5-6-10-15-21(24,18-11-8-7-9-12-18)20(23)25-19-13-16-22(2)17-14-19/h7-9,11-12,19,24H,3-6,13-14,16-17H2,1-2H3