2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoic acid; 1-methylpyrrolidin-3-ol; hydrochloride

Systemtic Name: 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoic acid; 1-methylpyrrolidin-3-ol; hydrochloride Openeye Name: 2-cyclopentyl-2-hydroxy-2-phenyl-acetic acid; 1-methylpyrrolidin-3-ol; hydrochloride CAS Name: 2-cyclopentyl-2-hydroxy-2-phenylacetic acid; 1-methyl-3-pyrrolidinol; hydrochloride IUPAC Name: 2-cyclopentyl-2-hydroxy-2-phenylacetic acid; 1-methylpyrrolidin-3-ol; hydrochloride Traditional Name: 2-cyclopentyl-2-hydroxy-2-phenyl-acetic acid; 1-methylpyrrolidin-3-ol; hydrochloride Formula: C18H28ClNO4 MolecularWeight: 357.87222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(C1)O.C1CCC(C1)C(C2=CC=CC=C2)(C(=O)O)O.Cl

Isomeric SMILES

CN1CCC(C1)O.C1CCC(C1)C(C2=CC=CC=C2)(C(=O)O)O.Cl

InChI

InChI=1S/C13H16O3.C5H11NO.ClH/c14-12(15)13(16,11-8-4-5-9-11)10-6-2-1-3-7-10;1-6-3-2-5(7)4-6;/h1-3,6-7,11,16H,4-5,8-9H2,(H,14,15);5,7H,2-4H2,1H3;1H