ethyl 4-(3-ethoxycarbonyl-5-phenyl-1H-pyrrol-2-yl)piperazine-1-carboxylate

Systemtic Name: ethyl 4-(3-ethoxycarbonyl-5-phenyl-1H-pyrrol-2-yl)piperazine-1-carboxylate Openeye Name: ethyl 4-(3-ethoxycarbonyl-5-phenyl-1H-pyrrol-2-yl)piperazine-1-carboxylate CAS Name: 4-(3-ethoxycarbonyl-5-phenyl-1H-pyrrol-2-yl)-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-ethoxycarbonyl-5-phenyl-1H-pyrrol-2-yl)piperazine-1-carboxylate Traditional Name: 4-(3-carbethoxy-5-phenyl-1H-pyrrol-2-yl)piperazine-1-carboxylic acid ethyl ester Formula: C20H25N3O4 MolecularWeight: 371.4302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O4/c1-3-26-19(24)16-14-17(15-8-6-5-7-9-15)21-18(16)22-10-12-23(13-11-22)20(25)27-4-2/h5-9,14,21H,3-4,10-13H2,1-2H3