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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)CC3=C(C(=CN3C)C)C(=O)O

Isomeric SMILES

CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)CC3=C(C(=CN3C)C)C(=O)O

InChI

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