[5-(diethylamino)-2-methyl-pent-3-yn-2-yl] 2-cyclohexyl-2-(4-cyclohexylphenyl)-2-oxidanyl-ethanoate hydrochloride

Systemtic Name: [5-(diethylamino)-2-methyl-pent-3-yn-2-yl] 2-cyclohexyl-2-(4-cyclohexylphenyl)-2-oxidanyl-ethanoate hydrochloride Openeye Name: [4-(diethylamino)-1,1-dimethyl-but-2-ynyl] 2-cyclohexyl-2-(4-cyclohexylphenyl)-2-hydroxy-acetate hydrochloride CAS Name: 2-cyclohexyl-2-(4-cyclohexylphenyl)-2-hydroxyacetic acid [5-(diethylamino)-2-methylpent-3-yn-2-yl] ester hydrochloride IUPAC Name: [5-(diethylamino)-2-methylpent-3-yn-2-yl] 2-cyclohexyl-2-(4-cyclohexylphenyl)-2-hydroxyacetate hydrochloride Traditional Name: 2-cyclohexyl-2-(4-cyclohexylphenyl)-2-hydroxy-acetic acid [4-(diethylamino)-1,1-dimethyl-but-2-ynyl] ester hydrochloride Formula: C30H46ClNO3 MolecularWeight: 504.14414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC#CC(C)(C)OC(=O)C(C1CCCCC1)(C2=CC=C(C=C2)C3CCCCC3)O.Cl

Isomeric SMILES

CCN(CC)CC#CC(C)(C)OC(=O)C(C1CCCCC1)(C2=CC=C(C=C2)C3CCCCC3)O.Cl

InChI

InChI=1S/C30H45NO3.ClH/c1-5-31(6-2)23-13-22-29(3,4)34-28(32)30(33,26-16-11-8-12-17-26)27-20-18-25(19-21-27)24-14-9-7-10-15-24;/h18-21,24,26,33H,5-12,14-17,23H2,1-4H3;1H