ethyl 2,4-dimethyl-5-(3-oxidanylidene-1-phenyl-pentyl)-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,4-dimethyl-5-(3-oxidanylidene-1-phenyl-pentyl)-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-(3-oxo-1-phenyl-pentyl)-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-(3-oxo-1-phenylpentyl)-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-(3-oxo-1-phenylpentyl)-1H-pyrrole-3-carboxylate Traditional Name: 5-(3-keto-1-phenyl-pentyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C20H25NO3 MolecularWeight: 327.4174

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CC(C1=CC=CC=C1)C2=C(C(=C(N2)C)C(=O)OCC)C

Isomeric SMILES

CCC(=O)CC(C1=CC=CC=C1)C2=C(C(=C(N2)C)C(=O)OCC)C

InChI

InChI=1S/C20H25NO3/c1-5-16(22)12-17(15-10-8-7-9-11-15)19-13(3)18(14(4)21-19)20(23)24-6-2/h7-11,17,21H,5-6,12H2,1-4H3