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

Systemtic Name: but-2-ynyl (2S)-2-cyclohexyl-2-[4-(diethylamino)phenyl]-2-oxidanyl-ethanoate hydrochloride Openeye Name: but-2-ynyl (2S)-2-cyclohexyl-2-[4-(diethylamino)phenyl]-2-hydroxy-acetate hydrochloride CAS Name: (2S)-2-cyclohexyl-2-[4-(diethylamino)phenyl]-2-hydroxyacetic acid but-2-ynyl ester hydrochloride IUPAC Name: but-2-ynyl (2S)-2-cyclohexyl-2-[4-(diethylamino)phenyl]-2-hydroxyacetate hydrochloride Traditional Name: (2S)-2-cyclohexyl-2-[4-(diethylamino)phenyl]-2-hydroxy-acetic acid but-2-ynyl ester hydrochloride Formula: C22H32ClNO3 MolecularWeight: 393.94738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)[C@@](C2CCCCC2)(C(=O)OCC#CC)O.Cl

InChI

InChI=1S/C22H31NO3.ClH/c1-4-7-17-26-21(24)22(25,18-11-9-8-10-12-18)19-13-15-20(16-14-19)23(5-2)6-3;/h13-16,18,25H,5-6,8-12,17H2,1-3H3;1H/t22-;/m0./s1