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

Systemtic Name: 5-azanyl-2-[(3S)-3-methylpiperidin-1-yl]benzoic acid Openeye Name: 5-amino-2-[(3S)-3-methyl-1-piperidyl]benzoic acid CAS Name: 5-amino-2-[(3S)-3-methyl-1-piperidinyl]benzoic acid IUPAC Name: 5-amino-2-[(3S)-3-methylpiperidin-1-yl]benzoic acid Traditional Name: 5-amino-2-[(3S)-3-methylpiperidino]benzoic acid Formula: C13H18N2O2 MolecularWeight: 234.29422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)N)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O2/c1-9-3-2-6-15(8-9)12-5-4-10(14)7-11(12)13(16)17/h4-5,7,9H,2-3,6,8,14H2,1H3,(H,16,17)/t9-/m0/s1