4-[2,5-dimethyl-3-[2-(4-methylpiperazin-1-yl)ethanoyl]pyrrol-1-yl]benzoic acid

Systemtic Name: 4-[2,5-dimethyl-3-[2-(4-methylpiperazin-1-yl)ethanoyl]pyrrol-1-yl]benzoic acid Openeye Name: 4-[2,5-dimethyl-3-[2-(4-methylpiperazin-1-yl)acetyl]pyrrol-1-yl]benzoic acid CAS Name: 4-[2,5-dimethyl-3-[2-(4-methyl-1-piperazinyl)-1-oxoethyl]-1-pyrrolyl]benzoic acid IUPAC Name: 4-[2,5-dimethyl-3-[2-(4-methylpiperazin-1-yl)acetyl]pyrrol-1-yl]benzoic acid Traditional Name: 4-[2,5-dimethyl-3-[2-(4-methylpiperazino)acetyl]pyrrol-1-yl]benzoic acid Formula: C20H25N3O3 MolecularWeight: 355.4308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)O)C)C(=O)CN3CCN(CC3)C

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)O)C)C(=O)CN3CCN(CC3)C

InChI

InChI=1S/C20H25N3O3/c1-14-12-18(19(24)13-22-10-8-21(3)9-11-22)15(2)23(14)17-6-4-16(5-7-17)20(25)26/h4-7,12H,8-11,13H2,1-3H3,(H,25,26)