ethyl 1,2-dimethyl-5-oxidanyl-4-oxidanylidene-5-(phenylmethyl)pyrrole-3-carboxylate

Systemtic Name: ethyl 1,2-dimethyl-5-oxidanyl-4-oxidanylidene-5-(phenylmethyl)pyrrole-3-carboxylate Openeye Name: ethyl 5-benzyl-5-hydroxy-1,2-dimethyl-4-oxo-pyrrole-3-carboxylate CAS Name: 5-hydroxy-1,2-dimethyl-4-oxo-5-(phenylmethyl)-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-5-hydroxy-1,2-dimethyl-4-oxopyrrole-3-carboxylate Traditional Name: 5-benzyl-5-hydroxy-4-keto-1,2-dimethyl-2-pyrroline-3-carboxylic acid ethyl ester Formula: C16H19NO4 MolecularWeight: 289.32636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(C1=O)(CC2=CC=CC=C2)O)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(C1=O)(CC2=CC=CC=C2)O)C)C

InChI

InChI=1S/C16H19NO4/c1-4-21-15(19)13-11(2)17(3)16(20,14(13)18)10-12-8-6-5-7-9-12/h5-9,20H,4,10H2,1-3H3