ethyl 2,5-dimethyl-4-[2-[(3S)-3-phenylbutanoyl]oxyethanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,5-dimethyl-4-[2-[(3S)-3-phenylbutanoyl]oxyethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,5-dimethyl-4-[2-[(3S)-3-phenylbutanoyl]oxyacetyl]-1H-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-4-[1-oxo-2-[(3S)-1-oxo-3-phenylbutoxy]ethyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-4-[2-[(3S)-3-phenylbutanoyl]oxyacetyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-4-[2-[(3S)-3-phenylbutanoyl]oxyacetyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H25NO5 MolecularWeight: 371.4269

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C(=O)COC(=O)C[C@H](C)C2=CC=CC=C2)C)C

InChI

InChI=1S/C21H25NO5/c1-5-26-21(25)20-15(4)22-14(3)19(20)17(23)12-27-18(24)11-13(2)16-9-7-6-8-10-16/h6-10,13,22H,5,11-12H2,1-4H3/t13-/m0/s1