ethyl 4-[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[2,5-dimethyl-1-(m-tolyl)pyrrole-3-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[2,5-dimethyl-1-(3-methylphenyl)-3-pyrrolyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[2,5-dimethyl-1-(m-tolyl)pyrrole-3-carbonyl]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)C2=C(N(C(=C2)C)C3=CC=CC(=C3)C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O3/c1-5-27-21(26)23-11-9-22(10-12-23)20(25)19-14-16(3)24(17(19)4)18-8-6-7-15(2)13-18/h6-8,13-14H,5,9-12H2,1-4H3