ethyl 2,5-dimethyl-4-[2-[2-[(phenylmethyl)carbamoylamino]ethanoyloxy]ethanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,5-dimethyl-4-[2-[2-[(phenylmethyl)carbamoylamino]ethanoyloxy]ethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[2-[2-(benzylcarbamoylamino)acetyl]oxyacetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-4-[1-oxo-2-[1-oxo-2-[[oxo-[(phenylmethyl)amino]methyl]amino]ethoxy]ethyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[2-(benzylcarbamoylamino)acetyl]oxyacetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[2-[2-(benzylcarbamoylamino)acetyl]oxyacetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H25N3O6 MolecularWeight: 415.4397

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C(=O)COC(=O)CNC(=O)NCC2=CC=CC=C2)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C(=O)COC(=O)CNC(=O)NCC2=CC=CC=C2)C)C

InChI

InChI=1S/C21H25N3O6/c1-4-29-20(27)19-14(3)24-13(2)18(19)16(25)12-30-17(26)11-23-21(28)22-10-15-8-6-5-7-9-15/h5-9,24H,4,10-12H2,1-3H3,(H2,22,23,28)