(phenylmethyl) (2S)-2-[3-oxidanylidenebutanoyl(prop-2-enyl)amino]propanoate

Systemtic Name: (phenylmethyl) (2S)-2-[3-oxidanylidenebutanoyl(prop-2-enyl)amino]propanoate Openeye Name: benzyl (2S)-2-[allyl(3-oxobutanoyl)amino]propanoate CAS Name: (2S)-2-[1,3-dioxobutyl(prop-2-enyl)amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[3-oxobutanoyl(prop-2-enyl)amino]propanoate Traditional Name: (2S)-2-[acetoacetyl(allyl)amino]propionic acid benzyl ester Formula: C17H21NO4 MolecularWeight: 303.35294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=CC=CC=C1)N(CC=C)C(=O)CC(=O)C

Isomeric SMILES

C[C@@H](C(=O)OCC1=CC=CC=C1)N(CC=C)C(=O)CC(=O)C

InChI

InChI=1S/C17H21NO4/c1-4-10-18(16(20)11-13(2)19)14(3)17(21)22-12-15-8-6-5-7-9-15/h4-9,14H,1,10-12H2,2-3H3/t14-/m0/s1