1-[[3-(3-fluorophenyl)-4-(hydroxymethyl)pyrrolidin-1-yl]methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 1-[[3-(3-fluorophenyl)-4-(hydroxymethyl)pyrrolidin-1-yl]methyl]cyclohexane-1-carboxylic acid Openeye Name: 1-[[3-(3-fluorophenyl)-4-(hydroxymethyl)pyrrolidin-1-yl]methyl]cyclohexanecarboxylic acid CAS Name: 1-[[3-(3-fluorophenyl)-4-(hydroxymethyl)-1-pyrrolidinyl]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 1-[[3-(3-fluorophenyl)-4-(hydroxymethyl)pyrrolidin-1-yl]methyl]cyclohexane-1-carboxylic acid Traditional Name: 1-[[3-(3-fluorophenyl)-4-methylol-pyrrolidino]methyl]cyclohexanecarboxylic acid Formula: C19H26FNO3 MolecularWeight: 335.413043

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CN2CC(C(C2)C3=CC(=CC=C3)F)CO)C(=O)O

Isomeric SMILES

C1CCC(CC1)(CN2CC(C(C2)C3=CC(=CC=C3)F)CO)C(=O)O

InChI

InChI=1S/C19H26FNO3/c20-16-6-4-5-14(9-16)17-11-21(10-15(17)12-22)13-19(18(23)24)7-2-1-3-8-19/h4-6,9,15,17,22H,1-3,7-8,10-13H2,(H,23,24)