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

Systemtic Name: 2-[1-(2-but-2-ynylphenyl)-4-(diethylamino)cyclohexyl]-2-oxidanyl-ethanoate Openeye Name: 2-[1-(2-but-2-ynylphenyl)-4-(diethylamino)cyclohexyl]-2-hydroxy-acetate CAS Name: 2-[1-(2-but-2-ynylphenyl)-4-(diethylamino)cyclohexyl]-2-hydroxyacetate IUPAC Name: 2-[1-(2-but-2-ynylphenyl)-4-(diethylamino)cyclohexyl]-2-hydroxyacetate Traditional Name: 2-[1-(2-but-2-ynylphenyl)-4-(diethylamino)cyclohexyl]-2-hydroxy-acetate Formula: C22H30NO3- MolecularWeight: 356.4785

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1CCC(CC1)(C2=CC=CC=C2CC#CC)C(C(=O)[O-])O

Isomeric SMILES

CCN(CC)C1CCC(CC1)(C2=CC=CC=C2CC#CC)C(C(=O)[O-])O

InChI

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