ethyl 4-[3-(4-methylphenyl)-3-pyrrol-1-yl-propanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-(4-methylphenyl)-3-pyrrol-1-yl-propanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-(p-tolyl)-3-pyrrol-1-yl-propanoyl]piperazine-1-carboxylate CAS Name: 4-[3-(4-methylphenyl)-1-oxo-3-(1-pyrrolyl)propyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(4-methylphenyl)-3-pyrrol-1-ylpropanoyl]piperazine-1-carboxylate Traditional Name: 4-[3-(p-tolyl)-3-pyrrol-1-yl-propanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H27N3O3 MolecularWeight: 369.45738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CC(C2=CC=C(C=C2)C)N3C=CC=C3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CC(C2=CC=C(C=C2)C)N3C=CC=C3

InChI

InChI=1S/C21H27N3O3/c1-3-27-21(26)24-14-12-23(13-15-24)20(25)16-19(22-10-4-5-11-22)18-8-6-17(2)7-9-18/h4-11,19H,3,12-16H2,1-2H3