4-(diethylamino)but-2-ynyl 1-phenylcyclohexane-1-carboxylate hydrochloride

Systemtic Name: 4-(diethylamino)but-2-ynyl 1-phenylcyclohexane-1-carboxylate hydrochloride Openeye Name: 4-(diethylamino)but-2-ynyl 1-phenylcyclohexanecarboxylate hydrochloride CAS Name: 1-phenyl-1-cyclohexanecarboxylic acid 4-(diethylamino)but-2-ynyl ester hydrochloride IUPAC Name: 4-(diethylamino)but-2-ynyl 1-phenylcyclohexane-1-carboxylate hydrochloride Traditional Name: 1-phenylcyclohexanecarboxylic acid 4-(diethylamino)but-2-ynyl ester hydrochloride Formula: C21H30ClNO2 MolecularWeight: 363.9214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO2.ClH/c1-3-22(4-2)17-11-12-18-24-20(23)21(15-9-6-10-16-21)19-13-7-5-8-14-19;/h5,7-8,13-14H,3-4,6,9-10,15-18H2,1-2H3;1H