methyl (2S)-2-[2,5-bis(oxidanylidene)pyrrol-1-yl]-3-(4-phenylmethoxyphenyl)propanoate

Systemtic Name: methyl (2S)-2-[2,5-bis(oxidanylidene)pyrrol-1-yl]-3-(4-phenylmethoxyphenyl)propanoate Openeye Name: methyl (2S)-3-(4-benzyloxyphenyl)-2-(2,5-dioxopyrrol-1-yl)propanoate CAS Name: (2S)-2-(2,5-dioxo-1-pyrrolyl)-3-(4-phenylmethoxyphenyl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-(2,5-dioxopyrrol-1-yl)-3-(4-phenylmethoxyphenyl)propanoate Traditional Name: (2S)-3-(4-benzoxyphenyl)-2-maleimido-propionic acid methyl ester Formula: C21H19NO5 MolecularWeight: 365.37926

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)OCC2=CC=CC=C2)N3C(=O)C=CC3=O

Isomeric SMILES

COC(=O)[C@H](CC1=CC=C(C=C1)OCC2=CC=CC=C2)N3C(=O)C=CC3=O

InChI

InChI=1S/C21H19NO5/c1-26-21(25)18(22-19(23)11-12-20(22)24)13-15-7-9-17(10-8-15)27-14-16-5-3-2-4-6-16/h2-12,18H,13-14H2,1H3/t18-/m0/s1