2-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-1,4-dimethyl-pyrrole-3-carboxylic acid

Systemtic Name: 2-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-1,4-dimethyl-pyrrole-3-carboxylic acid Openeye Name: 2-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxo-ethyl]-1,4-dimethyl-pyrrole-3-carboxylic acid CAS Name: 2-[2-[4-(2,5-dimethylphenyl)-1-piperazinyl]-2-oxoethyl]-1,4-dimethyl-3-pyrrolecarboxylic acid IUPAC Name: 2-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-1,4-dimethylpyrrole-3-carboxylic acid Traditional Name: 2-[2-[4-(2,5-dimethylphenyl)piperazino]-2-keto-ethyl]-1,4-dimethyl-pyrrole-3-carboxylic acid Formula: C21H27N3O3 MolecularWeight: 369.45738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)CC3=C(C(=CN3C)C)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)CC3=C(C(=CN3C)C)C(=O)O

InChI

InChI=1S/C21H27N3O3/c1-14-5-6-15(2)17(11-14)23-7-9-24(10-8-23)19(25)12-18-20(21(26)27)16(3)13-22(18)4/h5-6,11,13H,7-10,12H2,1-4H3,(H,26,27)