2-[2-(3-azabicyclo[3.2.1]octan-8-yl)-4-methyl-phenyl]-2-cyclopentyl-2-oxidanyl-ethanoic acid

Systemtic Name: 2-[2-(3-azabicyclo[3.2.1]octan-8-yl)-4-methyl-phenyl]-2-cyclopentyl-2-oxidanyl-ethanoic acid Openeye Name: 2-[2-(3-azabicyclo[3.2.1]octan-8-yl)-4-methyl-phenyl]-2-cyclopentyl-2-hydroxy-acetic acid CAS Name: 2-[2-(3-azabicyclo[3.2.1]octan-8-yl)-4-methylphenyl]-2-cyclopentyl-2-hydroxyacetic acid IUPAC Name: 2-[2-(3-azabicyclo[3.2.1]octan-8-yl)-4-methylphenyl]-2-cyclopentyl-2-hydroxyacetic acid Traditional Name: 2-[2-(3-azabicyclo[3.2.1]octan-8-yl)-4-methyl-phenyl]-2-cyclopentyl-2-hydroxy-acetic acid Formula: C21H29NO3 MolecularWeight: 343.45986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C2CCCC2)(C(=O)O)O)C3C4CCC3CNC4

Isomeric SMILES

CC1=CC(=C(C=C1)C(C2CCCC2)(C(=O)O)O)C3C4CCC3CNC4

InChI

InChI=1S/C21H29NO3/c1-13-6-9-18(21(25,20(23)24)16-4-2-3-5-16)17(10-13)19-14-7-8-15(19)12-22-11-14/h6,9-10,14-16,19,22,25H,2-5,7-8,11-12H2,1H3,(H,23,24)