methyl (2S)-3-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: methyl (2S)-3-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: methyl (2S)-2-(benzyloxycarbonylamino)-3-(1,3-dioxoisoindolin-2-yl)propanoate CAS Name: (2S)-3-(1,3-dioxo-2-isoindolyl)-2-(phenylmethoxycarbonylamino)propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(1,3-dioxoisoindol-2-yl)-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-phthalimido-propionic acid methyl ester Formula: C20H18N2O6 MolecularWeight: 382.36672

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CN1C(=O)C2=CC=CC=C2C1=O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@H](CN1C(=O)C2=CC=CC=C2C1=O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C20H18N2O6/c1-27-19(25)16(21-20(26)28-12-13-7-3-2-4-8-13)11-22-17(23)14-9-5-6-10-15(14)18(22)24/h2-10,16H,11-12H2,1H3,(H,21,26)/t16-/m0/s1