2-[(3S,5R)-1-(acetamidomethyl)-3,5-dimethyl-cyclohexyl]ethanoic acid

Systemtic Name: 2-[(3S,5R)-1-(acetamidomethyl)-3,5-dimethyl-cyclohexyl]ethanoic acid Openeye Name: 2-[(3S,5R)-1-(acetamidomethyl)-3,5-dimethyl-cyclohexyl]acetic acid CAS Name: 2-[(3S,5R)-1-(acetamidomethyl)-3,5-dimethylcyclohexyl]acetic acid IUPAC Name: 2-[(3S,5R)-1-(acetamidomethyl)-3,5-dimethylcyclohexyl]acetic acid Traditional Name: 2-[(3S,5R)-1-(acetamidomethyl)-3,5-dimethyl-cyclohexyl]acetic acid Formula: C13H23NO3 MolecularWeight: 241.32662

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC(C1)(CC(=O)O)CNC(=O)C)C

Isomeric SMILES

C[C@@H]1C[C@@H](CC(C1)(CC(=O)O)CNC(=O)C)C

InChI

InChI=1S/C13H23NO3/c1-9-4-10(2)6-13(5-9,7-12(16)17)8-14-11(3)15/h9-10H,4-8H2,1-3H3,(H,14,15)(H,16,17)/t9-,10+,13?