(phenylmethyl) (2S)-2-[2,5-bis(oxidanylidene)pyrrol-1-yl]-3-phenyl-propanoate

Systemtic Name: (phenylmethyl) (2S)-2-[2,5-bis(oxidanylidene)pyrrol-1-yl]-3-phenyl-propanoate Openeye Name: benzyl (2S)-2-(2,5-dioxopyrrol-1-yl)-3-phenyl-propanoate CAS Name: (2S)-2-(2,5-dioxo-1-pyrrolyl)-3-phenylpropanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-(2,5-dioxopyrrol-1-yl)-3-phenylpropanoate Traditional Name: (2S)-2-maleimido-3-phenyl-propionic acid benzyl ester Formula: C20H17NO4 MolecularWeight: 335.35328

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)OCC2=CC=CC=C2)N3C(=O)C=CC3=O

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)OCC2=CC=CC=C2)N3C(=O)C=CC3=O

InChI

InChI=1S/C20H17NO4/c22-18-11-12-19(23)21(18)17(13-15-7-3-1-4-8-15)20(24)25-14-16-9-5-2-6-10-16/h1-12,17H,13-14H2/t17-/m0/s1