2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]quinoline-3-carboxylic acid

Systemtic Name: 2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]quinoline-3-carboxylic acid Openeye Name: 2-[(3S,5S)-3,5-dimethyl-1-piperidyl]quinoline-3-carboxylic acid CAS Name: 2-[(3S,5S)-3,5-dimethyl-1-piperidinyl]-3-quinolinecarboxylic acid IUPAC Name: 2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]quinoline-3-carboxylic acid Traditional Name: 2-[(3S,5S)-3,5-dimethylpiperidino]quinoline-3-carboxylic acid Formula: C17H20N2O2 MolecularWeight: 284.3529

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=NC3=CC=CC=C3C=C2C(=O)O)C

Isomeric SMILES

C[C@H]1C[C@@H](CN(C1)C2=NC3=CC=CC=C3C=C2C(=O)O)C

InChI

InChI=1S/C17H20N2O2/c1-11-7-12(2)10-19(9-11)16-14(17(20)21)8-13-5-3-4-6-15(13)18-16/h3-6,8,11-12H,7,9-10H2,1-2H3,(H,20,21)/t11-,12-/m0/s1