5-(diethylamino)pent-3-yn-2-yl 1-phenylcyclohexane-1-carboxylate hydrochloride

Systemtic Name: 5-(diethylamino)pent-3-yn-2-yl 1-phenylcyclohexane-1-carboxylate hydrochloride Openeye Name: [4-(diethylamino)-1-methyl-but-2-ynyl] 1-phenylcyclohexanecarboxylate hydrochloride CAS Name: 1-phenyl-1-cyclohexanecarboxylic acid 5-(diethylamino)pent-3-yn-2-yl ester hydrochloride IUPAC Name: 5-(diethylamino)pent-3-yn-2-yl 1-phenylcyclohexane-1-carboxylate hydrochloride Traditional Name: 1-phenylcyclohexanecarboxylic acid [4-(diethylamino)-1-methyl-but-2-ynyl] ester hydrochloride Formula: C22H32ClNO2 MolecularWeight: 377.94798

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC#CC(C)OC(=O)C1(CCCCC1)C2=CC=CC=C2.Cl

Isomeric SMILES

CCN(CC)CC#CC(C)OC(=O)C1(CCCCC1)C2=CC=CC=C2.Cl

InChI

InChI=1S/C22H31NO2.ClH/c1-4-23(5-2)18-12-13-19(3)25-21(24)22(16-10-7-11-17-22)20-14-8-6-9-15-20;/h6,8-9,14-15,19H,4-5,7,10-11,16-18H2,1-3H3;1H