4-[(1-oxidanidylpyridin-1-ium-2-yl)-phenylmethoxycarbonyl-amino]butanoic acid

Systemtic Name: 4-[(1-oxidanidylpyridin-1-ium-2-yl)-phenylmethoxycarbonyl-amino]butanoic acid Openeye Name: 4-[benzyloxycarbonyl-(1-oxidopyridin-1-ium-2-yl)amino]butanoic acid CAS Name: 4-[(1-oxido-2-pyridin-1-iumyl)-phenylmethoxycarbonylamino]butanoic acid IUPAC Name: 4-[(1-oxidopyridin-1-ium-2-yl)-phenylmethoxycarbonylamino]butanoic acid Traditional Name: 4-[carbobenzoxy-(1-oxidopyridin-1-ium-2-yl)amino]butyric acid Formula: C17H18N2O5 MolecularWeight: 330.33522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)N(CCCC(=O)O)C2=CC=CC=[N+]2[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N(CCCC(=O)O)C2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C17H18N2O5/c20-16(21)10-6-11-18(15-9-4-5-12-19(15)23)17(22)24-13-14-7-2-1-3-8-14/h1-5,7-9,12H,6,10-11,13H2,(H,20,21)