ethyl (1R,2R)-2-methyl-1-[2-(4-methylphenyl)ethynyl]-2-oxidanyl-cyclopentane-1-carboxylate

Systemtic Name: ethyl (1R,2R)-2-methyl-1-[2-(4-methylphenyl)ethynyl]-2-oxidanyl-cyclopentane-1-carboxylate Openeye Name: ethyl (1R,2R)-2-hydroxy-2-methyl-1-[2-(p-tolyl)ethynyl]cyclopentanecarboxylate CAS Name: (1R,2R)-2-hydroxy-2-methyl-1-[2-(4-methylphenyl)ethynyl]-1-cyclopentanecarboxylic acid ethyl ester IUPAC Name: ethyl (1R,2R)-2-hydroxy-2-methyl-1-[2-(4-methylphenyl)ethynyl]cyclopentane-1-carboxylate Traditional Name: (1R,2R)-2-hydroxy-2-methyl-1-[2-(p-tolyl)ethynyl]cyclopentanecarboxylic acid ethyl ester Formula: C18H22O3 MolecularWeight: 286.36548

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCC1(C)O)C#CC2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)[C@]1(CCC[C@@]1(C)O)C#CC2=CC=C(C=C2)C

InChI

InChI=1S/C18H22O3/c1-4-21-16(19)18(12-5-11-17(18,3)20)13-10-15-8-6-14(2)7-9-15/h6-9,20H,4-5,11-12H2,1-3H3/t17-,18+/m1/s1