[2-[2-(5-chloranyl-2-methoxy-phenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl] (3R)-3-acetamido-3-phenyl-propanoate

Systemtic Name: [2-[2-(5-chloranyl-2-methoxy-phenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl] (3R)-3-acetamido-3-phenyl-propanoate Openeye Name: [2-[2-(5-chloro-2-methoxy-benzoyl)hydrazino]-2-oxo-ethyl] (3R)-3-acetamido-3-phenyl-propanoate CAS Name: (3R)-3-acetamido-3-phenylpropanoic acid [2-[[(5-chloro-2-methoxyphenyl)-oxomethyl]hydrazo]-2-oxoethyl] ester IUPAC Name: [2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] (3R)-3-acetamido-3-phenylpropanoate Traditional Name: (3R)-3-acetamido-3-phenyl-propionic acid [2-[N'-(5-chloro-2-methoxy-benzoyl)hydrazino]-2-keto-ethyl] ester Formula: C21H22ClN3O6 MolecularWeight: 447.86888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)OCC(=O)NNC(=O)C1=C(C=CC(=C1)Cl)OC)C2=CC=CC=C2

Isomeric SMILES

CC(=O)N[C@H](CC(=O)OCC(=O)NNC(=O)C1=C(C=CC(=C1)Cl)OC)C2=CC=CC=C2

InChI

InChI=1S/C21H22ClN3O6/c1-13(26)23-17(14-6-4-3-5-7-14)11-20(28)31-12-19(27)24-25-21(29)16-10-15(22)8-9-18(16)30-2/h3-10,17H,11-12H2,1-2H3,(H,23,26)(H,24,27)(H,25,29)/t17-/m1/s1