(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) (2S)-2-benzamido-3-phenyl-propanoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) (2S)-2-benzamido-3-phenyl-propanoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) (2S)-2-benzamido-3-phenyl-propanoate CAS Name: (2S)-2-benzamido-3-phenylpropanoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) (2S)-2-benzamido-3-phenylpropanoate Traditional Name: (2S)-2-benzamido-3-phenyl-propionic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C22H21N3O4 MolecularWeight: 391.41984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H21N3O4/c1-15(24)18(13-23)20(26)14-29-22(28)19(12-16-8-4-2-5-9-16)25-21(27)17-10-6-3-7-11-17/h2-11,18-19,24H,12,14H2,1H3,(H,25,27)/t18?,19-/m0/s1