3-azanyl-1-(phenylmethyl)piperidine-3-carboxylic acid

Systemtic Name: 3-azanyl-1-(phenylmethyl)piperidine-3-carboxylic acid Openeye Name: 3-amino-1-benzyl-piperidine-3-carboxylic acid CAS Name: 3-amino-1-(phenylmethyl)-3-piperidinecarboxylic acid IUPAC Name: 3-amino-1-benzylpiperidine-3-carboxylic acid Traditional Name: 3-amino-1-benzyl-nipecotic acid Formula: C13H18N2O2 MolecularWeight: 234.29422

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CC=CC=C2)(C(=O)O)N

Isomeric SMILES

C1CC(CN(C1)CC2=CC=CC=C2)(C(=O)O)N

InChI

InChI=1S/C13H18N2O2/c14-13(12(16)17)7-4-8-15(10-13)9-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10,14H2,(H,16,17)