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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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