2-ethynyl-2-(phenylmethoxycarbonylamino)pentanedioic acid

Systemtic Name: 2-ethynyl-2-(phenylmethoxycarbonylamino)pentanedioic acid Openeye Name: 2-(benzyloxycarbonylamino)-2-ethynyl-pentanedioic acid CAS Name: 2-ethynyl-2-(phenylmethoxycarbonylamino)pentanedioic acid IUPAC Name: 2-ethynyl-2-(phenylmethoxycarbonylamino)pentanedioic acid Traditional Name: 2-(benzyloxycarbonylamino)-2-ethynyl-glutaric acid Formula: C15H15NO6 MolecularWeight: 305.2827

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC(CCC(=O)O)(C(=O)O)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

C#CC(CCC(=O)O)(C(=O)O)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C15H15NO6/c1-2-15(13(19)20,9-8-12(17)18)16-14(21)22-10-11-6-4-3-5-7-11/h1,3-7H,8-10H2,(H,16,21)(H,17,18)(H,19,20)