(phenylmethyl) (2S)-5-oxidanyl-3-oxidanylidene-2-(phenylmethyl)-2H-pyrrole-1-carboxylate

Systemtic Name: (phenylmethyl) (2S)-5-oxidanyl-3-oxidanylidene-2-(phenylmethyl)-2H-pyrrole-1-carboxylate Openeye Name: benzyl (2S)-2-benzyl-5-hydroxy-3-oxo-2H-pyrrole-1-carboxylate CAS Name: (2S)-5-hydroxy-3-oxo-2-(phenylmethyl)-2H-pyrrole-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-benzyl-5-hydroxy-3-oxo-2H-pyrrole-1-carboxylate Traditional Name: (2S)-2-benzyl-5-hydroxy-3-keto-2-pyrroline-1-carboxylic acid benzyl ester Formula: C19H17NO4 MolecularWeight: 323.34258

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2C(=O)C=C(N2C(=O)OCC3=CC=CC=C3)O

Isomeric SMILES

C1=CC=C(C=C1)C[C@H]2C(=O)C=C(N2C(=O)OCC3=CC=CC=C3)O

InChI

InChI=1S/C19H17NO4/c21-17-12-18(22)20(16(17)11-14-7-3-1-4-8-14)19(23)24-13-15-9-5-2-6-10-15/h1-10,12,16,22H,11,13H2/t16-/m0/s1