(1-ethylpyrrolidin-2-yl)methyl 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate dihydrochloride

Systemtic Name: (1-ethylpyrrolidin-2-yl)methyl 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate dihydrochloride Openeye Name: (1-ethylpyrrolidin-2-yl)methyl 2-cyclopentyl-2-hydroxy-2-phenyl-acetate dihydrochloride CAS Name: 2-cyclopentyl-2-hydroxy-2-phenylacetic acid (1-ethyl-2-pyrrolidinyl)methyl ester dihydrochloride IUPAC Name: (1-ethylpyrrolidin-2-yl)methyl 2-cyclopentyl-2-hydroxy-2-phenylacetate dihydrochloride Traditional Name: 2-cyclopentyl-2-hydroxy-2-phenyl-acetic acid (1-ethylpyrrolidin-2-yl)methyl ester dihydrochloride Formula: C40H60Cl2N2O6 MolecularWeight: 735.8202

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC1COC(=O)C(C2CCCC2)(C3=CC=CC=C3)O.CCN1CCCC1COC(=O)C(C2CCCC2)(C3=CC=CC=C3)O.Cl.Cl

Isomeric SMILES

CCN1CCCC1COC(=O)C(C2CCCC2)(C3=CC=CC=C3)O.CCN1CCCC1COC(=O)C(C2CCCC2)(C3=CC=CC=C3)O.Cl.Cl

InChI

InChI=1S/2C20H29NO3.2ClH/c2*1-2-21-14-8-13-18(21)15-24-19(22)20(23,17-11-6-7-12-17)16-9-4-3-5-10-16;;/h2*3-5,9-10,17-18,23H,2,6-8,11-15H2,1H3;2*1H