(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl 2-oxidanyl-2-phenyl-pent-3-ynoate

Systemtic Name: (1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl 2-oxidanyl-2-phenyl-pent-3-ynoate Openeye Name: (1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl 2-hydroxy-2-phenyl-pent-3-ynoate CAS Name: 2-hydroxy-2-phenyl-3-pentynoic acid (1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl ester IUPAC Name: (1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl 2-hydroxy-2-phenylpent-3-ynoate Traditional Name: 2-hydroxy-2-phenyl-pent-3-ynoic acid (1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl ester Formula: C18H21NO3 MolecularWeight: 299.36424

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(C1=CC=CC=C1)(C(=O)OCC2=CCCN(C2)C)O

Isomeric SMILES

CC#CC(C1=CC=CC=C1)(C(=O)OCC2=CCCN(C2)C)O

InChI

InChI=1S/C18H21NO3/c1-3-11-18(21,16-9-5-4-6-10-16)17(20)22-14-15-8-7-12-19(2)13-15/h4-6,8-10,21H,7,12-14H2,1-2H3