4-pyrrolidin-1-ylbut-2-ynyl 1-phenylcyclohexane-1-carboxylate hydrochloride

Systemtic Name: 4-pyrrolidin-1-ylbut-2-ynyl 1-phenylcyclohexane-1-carboxylate hydrochloride Openeye Name: 4-pyrrolidin-1-ylbut-2-ynyl 1-phenylcyclohexanecarboxylate hydrochloride CAS Name: 1-phenyl-1-cyclohexanecarboxylic acid 4-(1-pyrrolidinyl)but-2-ynyl ester hydrochloride IUPAC Name: 4-pyrrolidin-1-ylbut-2-ynyl 1-phenylcyclohexane-1-carboxylate hydrochloride Traditional Name: 1-phenylcyclohexanecarboxylic acid 4-pyrrolidinobut-2-ynyl ester hydrochloride Formula: C21H28ClNO2 MolecularWeight: 361.90552

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C2=CC=CC=C2)C(=O)OCC#CCN3CCCC3.Cl

Isomeric SMILES

C1CCC(CC1)(C2=CC=CC=C2)C(=O)OCC#CCN3CCCC3.Cl

InChI

InChI=1S/C21H27NO2.ClH/c23-20(24-18-10-9-17-22-15-7-8-16-22)21(13-5-2-6-14-21)19-11-3-1-4-12-19;/h1,3-4,11-12H,2,5-8,13-18H2;1H