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

Systemtic Name: 2-[(3S,5R)-3,5-dimethyl-1-[(3-phenylpropylamino)methyl]cyclohexyl]ethanoic acid Openeye Name: 2-[(3S,5R)-3,5-dimethyl-1-[(3-phenylpropylamino)methyl]cyclohexyl]acetic acid CAS Name: 2-[(3S,5R)-3,5-dimethyl-1-[(3-phenylpropylamino)methyl]cyclohexyl]acetic acid IUPAC Name: 2-[(3S,5R)-3,5-dimethyl-1-[(3-phenylpropylamino)methyl]cyclohexyl]acetic acid Traditional Name: 2-[(3S,5R)-3,5-dimethyl-1-[(3-phenylpropylamino)methyl]cyclohexyl]acetic acid Formula: C20H31NO2 MolecularWeight: 317.46564

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC(C1)(CC(=O)O)CNCCCC2=CC=CC=C2)C

Isomeric SMILES

C[C@@H]1C[C@@H](CC(C1)(CC(=O)O)CNCCCC2=CC=CC=C2)C

InChI

InChI=1S/C20H31NO2/c1-16-11-17(2)13-20(12-16,14-19(22)23)15-21-10-6-9-18-7-4-3-5-8-18/h3-5,7-8,16-17,21H,6,9-15H2,1-2H3,(H,22,23)/t16-,17+,20?