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

Systemtic Name: ethyl 2,4-dimethyl-5-[(2S)-2-(3-phenylpropanoyloxy)propanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-[(2S)-2-(3-phenylpropanoyloxy)propanoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[(2S)-1-oxo-2-(1-oxo-3-phenylpropoxy)propyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[(2S)-2-(3-phenylpropanoyloxy)propanoyl]-1H-pyrrole-3-carboxylate Traditional Name: 5-[(2S)-2-hydrocinnamoyloxypropanoyl]-2,4-dimethyl-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)C(=O)C(C)OC(=O)CCC2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)[C@H](C)OC(=O)CCC2=CC=CC=C2)C

InChI

InChI=1S/C21H25NO5/c1-5-26-21(25)18-13(2)19(22-14(18)3)20(24)15(4)27-17(23)12-11-16-9-7-6-8-10-16/h6-10,15,22H,5,11-12H2,1-4H3/t15-/m0/s1