(phenylmethyl) (2S)-2-[(2-chloranyl-3-oxidanylidene-butanoyl)-prop-2-enyl-amino]propanoate

Systemtic Name: (phenylmethyl) (2S)-2-[(2-chloranyl-3-oxidanylidene-butanoyl)-prop-2-enyl-amino]propanoate Openeye Name: benzyl (2S)-2-[allyl-(2-chloro-3-oxo-butanoyl)amino]propanoate CAS Name: (2S)-2-[(2-chloro-1,3-dioxobutyl)-prop-2-enylamino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[(2-chloro-3-oxobutanoyl)-prop-2-enylamino]propanoate Traditional Name: (2S)-2-[allyl-(2-chloro-3-keto-butanoyl)amino]propionic acid benzyl ester Formula: C17H20ClNO4 MolecularWeight: 337.798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClNO4/c1-4-10-19(16(21)15(18)13(3)20)12(2)17(22)23-11-14-8-6-5-7-9-14/h4-9,12,15H,1,10-11H2,2-3H3/t12-,15?/m0/s1