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

Systemtic Name: 2-[(3S,5R)-1-[(cyclohexylmethylamino)methyl]-3,5-dimethyl-cyclohexyl]ethanoic acid Openeye Name: 2-[(3S,5R)-1-[(cyclohexylmethylamino)methyl]-3,5-dimethyl-cyclohexyl]acetic acid CAS Name: 2-[(3S,5R)-1-[(cyclohexylmethylamino)methyl]-3,5-dimethylcyclohexyl]acetic acid IUPAC Name: 2-[(3S,5R)-1-[(cyclohexylmethylamino)methyl]-3,5-dimethylcyclohexyl]acetic acid Traditional Name: 2-[(3S,5R)-1-[(cyclohexylmethylamino)methyl]-3,5-dimethyl-cyclohexyl]acetic acid Formula: C18H33NO2 MolecularWeight: 295.46012

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC(C1)(CC(=O)O)CNCC2CCCCC2)C

Isomeric SMILES

C[C@@H]1C[C@@H](CC(C1)(CC(=O)O)CNCC2CCCCC2)C

InChI

InChI=1S/C18H33NO2/c1-14-8-15(2)10-18(9-14,11-17(20)21)13-19-12-16-6-4-3-5-7-16/h14-16,19H,3-13H2,1-2H3,(H,20,21)/t14-,15+,18?