5-azanyl-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]benzoic acid

Systemtic Name: 5-azanyl-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]benzoic acid Openeye Name: 5-amino-2-[(3S,5S)-3,5-dimethyl-1-piperidyl]benzoic acid CAS Name: 5-amino-2-[(3S,5S)-3,5-dimethyl-1-piperidinyl]benzoic acid IUPAC Name: 5-amino-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]benzoic acid Traditional Name: 5-amino-2-[(3S,5S)-3,5-dimethylpiperidino]benzoic acid Formula: C14H20N2O2 MolecularWeight: 248.3208

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=C(C=C(C=C2)N)C(=O)O)C

Isomeric SMILES

C[C@H]1C[C@@H](CN(C1)C2=C(C=C(C=C2)N)C(=O)O)C

InChI

InChI=1S/C14H20N2O2/c1-9-5-10(2)8-16(7-9)13-4-3-11(15)6-12(13)14(17)18/h3-4,6,9-10H,5,7-8,15H2,1-2H3,(H,17,18)/t9-,10-/m0/s1