1-[3-[4-(carboxymethyl)piperazin-1-yl]phenyl]-2-(1-hydroxyethyl)benzimidazole-5-carboxylate

Systemtic Name: 1-[3-[4-(carboxymethyl)piperazin-1-yl]phenyl]-2-(1-hydroxyethyl)benzimidazole-5-carboxylate Openeye Name: 1-[3-[4-(carboxymethyl)piperazin-1-yl]phenyl]-2-(1-hydroxyethyl)benzimidazole-5-carboxylate CAS Name: 1-[3-[4-(carboxymethyl)-1-piperazinyl]phenyl]-2-(1-hydroxyethyl)-5-benzimidazolecarboxylate IUPAC Name: 1-[3-[4-(carboxymethyl)piperazin-1-yl]phenyl]-2-(1-hydroxyethyl)benzimidazole-5-carboxylate Traditional Name: 1-[3-[4-(carboxymethyl)piperazino]phenyl]-2-(1-hydroxyethyl)benzimidazole-5-carboxylate Formula: C22H23N4O5- MolecularWeight: 423.44182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=C(N1C3=CC(=CC=C3)N4CCN(CC4)CC(=O)O)C=CC(=C2)C(=O)[O-])O

Isomeric SMILES

CC(C1=NC2=C(N1C3=CC(=CC=C3)N4CCN(CC4)CC(=O)O)C=CC(=C2)C(=O)[O-])O

InChI

InChI=1S/C22H24N4O5/c1-14(27)21-23-18-11-15(22(30)31)5-6-19(18)26(21)17-4-2-3-16(12-17)25-9-7-24(8-10-25)13-20(28)29/h2-6,11-12,14,27H,7-10,13H2,1H3,(H,28,29)(H,30,31)/p-1