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

Systemtic Name: ethyl 4-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrrol-2-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[3,5-dimethyl-1-(p-tolylmethyl)pyrrole-2-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]-2-pyrrolyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrrole-2-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[3,5-dimethyl-1-(4-methylbenzyl)pyrrole-2-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H29N3O3 MolecularWeight: 383.48396

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=C(C=C(N2CC3=CC=C(C=C3)C)C)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=C(C=C(N2CC3=CC=C(C=C3)C)C)C

InChI

InChI=1S/C22H29N3O3/c1-5-28-22(27)24-12-10-23(11-13-24)21(26)20-17(3)14-18(4)25(20)15-19-8-6-16(2)7-9-19/h6-9,14H,5,10-13,15H2,1-4H3