2-[3,3-bis(fluoranyl)cyclopentyl]-2-oxidanyl-2-phenyl-ethanoic acid; N-cyclohexylcyclohexanamine

Systemtic Name: 2-[3,3-bis(fluoranyl)cyclopentyl]-2-oxidanyl-2-phenyl-ethanoic acid; N-cyclohexylcyclohexanamine Openeye Name: N-cyclohexylcyclohexanamine; 2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenyl-acetic acid CAS Name: N-cyclohexylcyclohexanamine; 2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetic acid IUPAC Name: N-cyclohexylcyclohexanamine; 2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetic acid Traditional Name: dicyclohexylamine; 2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenyl-acetic acid Formula: C25H37F2NO3 MolecularWeight: 437.562986

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2CCCCC2.C1CC(CC1C(C2=CC=CC=C2)(C(=O)O)O)(F)F

Isomeric SMILES

C1CCC(CC1)NC2CCCCC2.C1CC(CC1C(C2=CC=CC=C2)(C(=O)O)O)(F)F

InChI

InChI=1S/C13H14F2O3.C12H23N/c14-12(15)7-6-10(8-12)13(18,11(16)17)9-4-2-1-3-5-9;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-5,10,18H,6-8H2,(H,16,17);11-13H,1-10H2