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

Systemtic Name: 2-[(3S,5R)-1-[(cyclohexylamino)methyl]-3,5-dimethyl-cyclohexyl]ethanoic acid Openeye Name: 2-[(3S,5R)-1-[(cyclohexylamino)methyl]-3,5-dimethyl-cyclohexyl]acetic acid CAS Name: 2-[(3S,5R)-1-[(cyclohexylamino)methyl]-3,5-dimethylcyclohexyl]acetic acid IUPAC Name: 2-[(3S,5R)-1-[(cyclohexylamino)methyl]-3,5-dimethylcyclohexyl]acetic acid Traditional Name: 2-[(3S,5R)-1-[(cyclohexylamino)methyl]-3,5-dimethyl-cyclohexyl]acetic acid Formula: C17H31NO2 MolecularWeight: 281.43354

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC(C1)(CC(=O)O)CNC2CCCCC2)C

Isomeric SMILES

C[C@@H]1C[C@@H](CC(C1)(CC(=O)O)CNC2CCCCC2)C

InChI

InChI=1S/C17H31NO2/c1-13-8-14(2)10-17(9-13,11-16(19)20)12-18-15-6-4-3-5-7-15/h13-15,18H,3-12H2,1-2H3,(H,19,20)/t13-,14+,17?