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

Systemtic Name: 2-[2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-1,4-dimethyl-pyrrole-3-carboxylic acid Openeye Name: 2-[2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-2-oxo-ethyl]-1,4-dimethyl-pyrrole-3-carboxylic acid CAS Name: 2-[2-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-2-oxoethyl]-1,4-dimethyl-3-pyrrolecarboxylic acid IUPAC Name: 2-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-1,4-dimethylpyrrole-3-carboxylic acid Traditional Name: 2-[2-[4-(5-chloro-2-methyl-phenyl)piperazino]-2-keto-ethyl]-1,4-dimethyl-pyrrole-3-carboxylic acid Formula: C20H24ClN3O3 MolecularWeight: 389.87586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24ClN3O3/c1-13-4-5-15(21)10-16(13)23-6-8-24(9-7-23)18(25)11-17-19(20(26)27)14(2)12-22(17)3/h4-5,10,12H,6-9,11H2,1-3H3,(H,26,27)