3-azanyl-1-phenylmethoxycarbonyl-piperidine-3-carboxylic acid

Systemtic Name: 3-azanyl-1-phenylmethoxycarbonyl-piperidine-3-carboxylic acid Openeye Name: 3-amino-1-benzyloxycarbonyl-piperidine-3-carboxylic acid CAS Name: 3-amino-1-phenylmethoxycarbonyl-3-piperidinecarboxylic acid IUPAC Name: 3-amino-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid Traditional Name: 3-amino-1-carbobenzoxy-nipecotic acid Formula: C14H18N2O4 MolecularWeight: 278.30372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)OCC2=CC=CC=C2)(C(=O)O)N

Isomeric SMILES

C1CC(CN(C1)C(=O)OCC2=CC=CC=C2)(C(=O)O)N

InChI

InChI=1S/C14H18N2O4/c15-14(12(17)18)7-4-8-16(10-14)13(19)20-9-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10,15H2,(H,17,18)