[5-(ethylamino)-2-methyl-pent-3-yn-2-yl] (2R)-2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoate hydrochloride

Systemtic Name: [5-(ethylamino)-2-methyl-pent-3-yn-2-yl] (2R)-2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoate hydrochloride Openeye Name: [4-(ethylamino)-1,1-dimethyl-but-2-ynyl] (2R)-2-cyclohexyl-2-hydroxy-2-phenyl-acetate hydrochloride CAS Name: (2R)-2-cyclohexyl-2-hydroxy-2-phenylacetic acid [5-(ethylamino)-2-methylpent-3-yn-2-yl] ester hydrochloride IUPAC Name: [5-(ethylamino)-2-methylpent-3-yn-2-yl] (2R)-2-cyclohexyl-2-hydroxy-2-phenylacetate hydrochloride Traditional Name: (2R)-2-cyclohexyl-2-hydroxy-2-phenyl-acetic acid [4-(ethylamino)-1,1-dimethyl-but-2-ynyl] ester hydrochloride Formula: C22H32ClNO3 MolecularWeight: 393.94738

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC#CC(C)(C)OC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O.Cl

Isomeric SMILES

CCNCC#CC(C)(C)OC(=O)[C@@](C1CCCCC1)(C2=CC=CC=C2)O.Cl

InChI

InChI=1S/C22H31NO3.ClH/c1-4-23-17-11-16-21(2,3)26-20(24)22(25,18-12-7-5-8-13-18)19-14-9-6-10-15-19;/h5,7-8,12-13,19,23,25H,4,6,9-10,14-15,17H2,1-3H3;1H/t22-;/m0./s1