(2-methyl-1,4,5,6-tetrahydropyrimidin-5-yl) 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate hydrochloride

Systemtic Name: (2-methyl-1,4,5,6-tetrahydropyrimidin-5-yl) 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate hydrochloride Openeye Name: (2-methyl-1,4,5,6-tetrahydropyrimidin-5-yl) 2-cyclopentyl-2-hydroxy-2-phenyl-acetate hydrochloride CAS Name: 2-cyclopentyl-2-hydroxy-2-phenylacetic acid (2-methyl-1,4,5,6-tetrahydropyrimidin-5-yl) ester hydrochloride IUPAC Name: (2-methyl-1,4,5,6-tetrahydropyrimidin-5-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate hydrochloride Traditional Name: 2-cyclopentyl-2-hydroxy-2-phenyl-acetic acid (2-methyl-1,4,5,6-tetrahydropyrimidin-5-yl) ester hydrochloride Formula: C18H25ClN2O3 MolecularWeight: 352.8557

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NCC(CN1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O.Cl

Isomeric SMILES

CC1=NCC(CN1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O.Cl

InChI

InChI=1S/C18H24N2O3.ClH/c1-13-19-11-16(12-20-13)23-17(21)18(22,15-9-5-6-10-15)14-7-3-2-4-8-14;/h2-4,7-8,15-16,22H,5-6,9-12H2,1H3,(H,19,20);1H