[1-[3-(diethylamino)prop-1-ynyl]cyclohexyl] 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate hydrochloride

Systemtic Name: [1-[3-(diethylamino)prop-1-ynyl]cyclohexyl] 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate hydrochloride Openeye Name: [1-[3-(diethylamino)prop-1-ynyl]cyclohexyl] 2-cyclopentyl-2-hydroxy-2-phenyl-acetate hydrochloride CAS Name: 2-cyclopentyl-2-hydroxy-2-phenylacetic acid [1-[3-(diethylamino)prop-1-ynyl]cyclohexyl] ester hydrochloride IUPAC Name: [1-[3-(diethylamino)prop-1-ynyl]cyclohexyl] 2-cyclopentyl-2-hydroxy-2-phenylacetate hydrochloride Traditional Name: 2-cyclopentyl-2-hydroxy-2-phenyl-acetic acid [1-[3-(diethylamino)prop-1-ynyl]cyclohexyl] ester hydrochloride Formula: C26H38ClNO3 MolecularWeight: 448.03782

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC#CC1(CCCCC1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O.Cl

Isomeric SMILES

CCN(CC)CC#CC1(CCCCC1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O.Cl

InChI

InChI=1S/C26H37NO3.ClH/c1-3-27(4-2)21-13-20-25(18-11-6-12-19-25)30-24(28)26(29,23-16-9-10-17-23)22-14-7-5-8-15-22;/h5,7-8,14-15,23,29H,3-4,6,9-12,16-19,21H2,1-2H3;1H