but-2-ynyl 2-[4-(diethylamino)-1-phenyl-cyclohexyl]-2-oxidanyl-ethanoate

Systemtic Name: but-2-ynyl 2-[4-(diethylamino)-1-phenyl-cyclohexyl]-2-oxidanyl-ethanoate Openeye Name: but-2-ynyl 2-[4-(diethylamino)-1-phenyl-cyclohexyl]-2-hydroxy-acetate CAS Name: 2-[4-(diethylamino)-1-phenylcyclohexyl]-2-hydroxyacetic acid but-2-ynyl ester IUPAC Name: but-2-ynyl 2-[4-(diethylamino)-1-phenylcyclohexyl]-2-hydroxyacetate Traditional Name: 2-[4-(diethylamino)-1-phenyl-cyclohexyl]-2-hydroxy-acetic acid but-2-ynyl ester Formula: C22H31NO3 MolecularWeight: 357.48644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1CCC(CC1)(C2=CC=CC=C2)C(C(=O)OCC#CC)O

Isomeric SMILES

CCN(CC)C1CCC(CC1)(C2=CC=CC=C2)C(C(=O)OCC#CC)O

InChI

InChI=1S/C22H31NO3/c1-4-7-17-26-21(25)20(24)22(18-11-9-8-10-12-18)15-13-19(14-16-22)23(5-2)6-3/h8-12,19-20,24H,5-6,13-17H2,1-3H3