ethyl 4-[3-ethoxycarbonyl-5-(4-methylphenyl)-1H-pyrrol-2-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-ethoxycarbonyl-5-(4-methylphenyl)-1H-pyrrol-2-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-ethoxycarbonyl-5-(p-tolyl)-1H-pyrrol-2-yl]piperazine-1-carboxylate CAS Name: 4-[3-ethoxycarbonyl-5-(4-methylphenyl)-1H-pyrrol-2-yl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-ethoxycarbonyl-5-(4-methylphenyl)-1H-pyrrol-2-yl]piperazine-1-carboxylate Traditional Name: 4-[3-carbethoxy-5-(p-tolyl)-1H-pyrrol-2-yl]piperazine-1-carboxylic acid ethyl ester Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1)C2=CC=C(C=C2)C)N3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1)C2=CC=C(C=C2)C)N3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C21H27N3O4/c1-4-27-20(25)17-14-18(16-8-6-15(3)7-9-16)22-19(17)23-10-12-24(13-11-23)21(26)28-5-2/h6-9,14,22H,4-5,10-13H2,1-3H3