ethyl 2,4-dimethyl-5-[4-(3-methylphenyl)piperazin-1-yl]carbonyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,4-dimethyl-5-[4-(3-methylphenyl)piperazin-1-yl]carbonyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-[4-(m-tolyl)piperazine-1-carbonyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[[4-(3-methylphenyl)-1-piperazinyl]-oxomethyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[4-(3-methylphenyl)piperazine-1-carbonyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[4-(m-tolyl)piperazine-1-carbonyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H27N3O3 MolecularWeight: 369.45738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)N2CCN(CC2)C3=CC=CC(=C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)N2CCN(CC2)C3=CC=CC(=C3)C)C

InChI

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