2-(3-cyanopropanoylamino)-3-phenylmethoxycarbonyloxy-butanoic acid

Systemtic Name: 2-(3-cyanopropanoylamino)-3-phenylmethoxycarbonyloxy-butanoic acid Openeye Name: 3-benzyloxycarbonyloxy-2-(3-cyanopropanoylamino)butanoic acid CAS Name: 2-[(3-cyano-1-oxopropyl)amino]-3-phenylmethoxycarbonyloxybutanoic acid IUPAC Name: 2-(3-cyanopropanoylamino)-3-phenylmethoxycarbonyloxybutanoic acid Traditional Name: 3-carbobenzoxyoxy-2-(3-cyanopropanoylamino)butyric acid Formula: C16H18N2O6 MolecularWeight: 334.32392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O6/c1-11(14(15(20)21)18-13(19)8-5-9-17)24-16(22)23-10-12-6-3-2-4-7-12/h2-4,6-7,11,14H,5,8,10H2,1H3,(H,18,19)(H,20,21)