(1-methylpiperidin-3-yl) 2-cyclohexa-1,3-dien-1-yl-2-oxidanyl-pent-3-ynoate

Systemtic Name: (1-methylpiperidin-3-yl) 2-cyclohexa-1,3-dien-1-yl-2-oxidanyl-pent-3-ynoate Openeye Name: (1-methyl-3-piperidyl) 2-cyclohexa-1,3-dien-1-yl-2-hydroxy-pent-3-ynoate CAS Name: 2-(1-cyclohexa-1,3-dienyl)-2-hydroxy-3-pentynoic acid (1-methyl-3-piperidinyl) ester IUPAC Name: (1-methylpiperidin-3-yl) 2-cyclohexa-1,3-dien-1-yl-2-hydroxypent-3-ynoate Traditional Name: 2-cyclohexa-1,3-dien-1-yl-2-hydroxy-pent-3-ynoic acid (1-methyl-3-piperidyl) ester Formula: C17H23NO3 MolecularWeight: 289.36942

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(C1=CC=CCC1)(C(=O)OC2CCCN(C2)C)O

Isomeric SMILES

CC#CC(C1=CC=CCC1)(C(=O)OC2CCCN(C2)C)O

InChI

InChI=1S/C17H23NO3/c1-3-11-17(20,14-8-5-4-6-9-14)16(19)21-15-10-7-12-18(2)13-15/h4-5,8,15,20H,6-7,9-10,12-13H2,1-2H3