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

Systemtic Name: 2-[(3S,5R)-3,5-dimethyl-1-[(1-oxidanylpropan-2-ylamino)methyl]cyclohexyl]ethanoic acid Openeye Name: 2-[(3S,5R)-1-[[(2-hydroxy-1-methyl-ethyl)amino]methyl]-3,5-dimethyl-cyclohexyl]acetic acid CAS Name: 2-[(3S,5R)-1-[(1-hydroxypropan-2-ylamino)methyl]-3,5-dimethylcyclohexyl]acetic acid IUPAC Name: 2-[(3S,5R)-1-[(1-hydroxypropan-2-ylamino)methyl]-3,5-dimethylcyclohexyl]acetic acid Traditional Name: 2-[(3S,5R)-1-[[(2-hydroxy-1-methyl-ethyl)amino]methyl]-3,5-dimethyl-cyclohexyl]acetic acid Formula: C14H27NO3 MolecularWeight: 257.36908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H27NO3/c1-10-4-11(2)6-14(5-10,7-13(17)18)9-15-12(3)8-16/h10-12,15-16H,4-9H2,1-3H3,(H,17,18)/t10-,11+,12?,14?