but-2-ynyl 2-[2-cyclohexyl-4-(diethylamino)phenyl]-2-oxidanyl-ethanoate

Systemtic Name: but-2-ynyl 2-[2-cyclohexyl-4-(diethylamino)phenyl]-2-oxidanyl-ethanoate Openeye Name: but-2-ynyl 2-[2-cyclohexyl-4-(diethylamino)phenyl]-2-hydroxy-acetate CAS Name: 2-[2-cyclohexyl-4-(diethylamino)phenyl]-2-hydroxyacetic acid but-2-ynyl ester IUPAC Name: but-2-ynyl 2-[2-cyclohexyl-4-(diethylamino)phenyl]-2-hydroxyacetate Traditional Name: 2-[2-cyclohexyl-4-(diethylamino)phenyl]-2-hydroxy-acetic acid but-2-ynyl ester Formula: C22H31NO3 MolecularWeight: 357.48644

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)C(C(=O)OCC#CC)O)C2CCCCC2

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)C(C(=O)OCC#CC)O)C2CCCCC2

InChI

InChI=1S/C22H31NO3/c1-4-7-15-26-22(25)21(24)19-14-13-18(23(5-2)6-3)16-20(19)17-11-9-8-10-12-17/h13-14,16-17,21,24H,5-6,8-12,15H2,1-3H3