ethyl 3,5-dimethyl-4-(3-phenylpropanoyl)-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 3,5-dimethyl-4-(3-phenylpropanoyl)-1H-pyrrole-2-carboxylate Openeye Name: ethyl 3,5-dimethyl-4-(3-phenylpropanoyl)-1H-pyrrole-2-carboxylate CAS Name: 3,5-dimethyl-4-(1-oxo-3-phenylpropyl)-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3,5-dimethyl-4-(3-phenylpropanoyl)-1H-pyrrole-2-carboxylate Traditional Name: 4-hydrocinnamoyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C18H21NO3 MolecularWeight: 299.36424

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)CCC2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)CCC2=CC=CC=C2)C

InChI

InChI=1S/C18H21NO3/c1-4-22-18(21)17-12(2)16(13(3)19-17)15(20)11-10-14-8-6-5-7-9-14/h5-9,19H,4,10-11H2,1-3H3