[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 4-ethanoyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 4-ethanoyl-1H-pyrrole-2-carboxylate Openeye Name: [2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxo-ethyl] 4-acetyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [2-[4-(2,3-dimethylphenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl] 4-acetyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [2-[4-(2,3-dimethylphenyl)piperazino]-2-keto-ethyl] ester Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)COC(=O)C3=CC(=CN3)C(=O)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)COC(=O)C3=CC(=CN3)C(=O)C)C

InChI

InChI=1S/C21H25N3O4/c1-14-5-4-6-19(15(14)2)23-7-9-24(10-8-23)20(26)13-28-21(27)18-11-17(12-22-18)16(3)25/h4-6,11-12,22H,7-10,13H2,1-3H3