(phenylmethyl) 3,4-bis(2-ethoxy-2-oxidanylidene-ethyl)-5-methyl-1H-pyrrole-2-carboxylate

Systemtic Name: (phenylmethyl) 3,4-bis(2-ethoxy-2-oxidanylidene-ethyl)-5-methyl-1H-pyrrole-2-carboxylate Openeye Name: benzyl 3,4-bis(2-ethoxy-2-oxo-ethyl)-5-methyl-1H-pyrrole-2-carboxylate CAS Name: 3,4-bis(2-ethoxy-2-oxoethyl)-5-methyl-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3,4-bis(2-ethoxy-2-oxoethyl)-5-methyl-1H-pyrrole-2-carboxylate Traditional Name: 3,4-bis(2-ethoxy-2-keto-ethyl)-5-methyl-1H-pyrrole-2-carboxylic acid benzyl ester Formula: C21H25NO6 MolecularWeight: 387.4263

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=C(NC(=C1CC(=O)OCC)C(=O)OCC2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)CC1=C(NC(=C1CC(=O)OCC)C(=O)OCC2=CC=CC=C2)C

InChI

InChI=1S/C21H25NO6/c1-4-26-18(23)11-16-14(3)22-20(17(16)12-19(24)27-5-2)21(25)28-13-15-9-7-6-8-10-15/h6-10,22H,4-5,11-13H2,1-3H3