3-(4-chloranyl-3-methyl-phenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid

Systemtic Name: 3-(4-chloranyl-3-methyl-phenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid Openeye Name: 3-(4-chloro-3-methyl-phenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid CAS Name: 3-(4-chloro-3-methylphenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid IUPAC Name: 3-(4-chloro-3-methylphenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid Traditional Name: 3-(4-chloro-3-methyl-phenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid Formula: C16H20ClNO2 MolecularWeight: 293.7885

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2CC3CCC(C2C(=O)O)N3C)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)C2CC3CCC(C2C(=O)O)N3C)Cl

InChI

InChI=1S/C16H20ClNO2/c1-9-7-10(3-5-13(9)17)12-8-11-4-6-14(18(11)2)15(12)16(19)20/h3,5,7,11-12,14-15H,4,6,8H2,1-2H3,(H,19,20)