2-methylpropyl 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate; pyrrolidine; hydrochloride

Systemtic Name: 2-methylpropyl 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate; pyrrolidine; hydrochloride Openeye Name: isobutyl 2-cyclopentyl-2-hydroxy-2-phenyl-acetate; pyrrolidine; hydrochloride CAS Name: 2-cyclopentyl-2-hydroxy-2-phenylacetic acid 2-methylpropyl ester; pyrrolidine; hydrochloride IUPAC Name: 2-methylpropyl 2-cyclopentyl-2-hydroxy-2-phenylacetate; pyrrolidine; hydrochloride Traditional Name: 2-cyclopentyl-2-hydroxy-2-phenyl-acetic acid isobutyl ester; pyrrolidine; hydrochloride Formula: C21H34ClNO3 MolecularWeight: 383.95256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C(C1CCCC1)(C2=CC=CC=C2)O.C1CCNC1.Cl

Isomeric SMILES

CC(C)COC(=O)C(C1CCCC1)(C2=CC=CC=C2)O.C1CCNC1.Cl

InChI

InChI=1S/C17H24O3.C4H9N.ClH/c1-13(2)12-20-16(18)17(19,15-10-6-7-11-15)14-8-4-3-5-9-14;1-2-4-5-3-1;/h3-5,8-9,13,15,19H,6-7,10-12H2,1-2H3;5H,1-4H2;1H