2-(1-methoxyethyl)-1-[3-[4-(phenylmethyl)piperazin-1-yl]phenyl]benzimidazole-5-carboxylic acid

Systemtic Name: 2-(1-methoxyethyl)-1-[3-[4-(phenylmethyl)piperazin-1-yl]phenyl]benzimidazole-5-carboxylic acid Openeye Name: 1-[3-(4-benzylpiperazin-1-yl)phenyl]-2-(1-methoxyethyl)benzimidazole-5-carboxylic acid CAS Name: 2-(1-methoxyethyl)-1-[3-[4-(phenylmethyl)-1-piperazinyl]phenyl]-5-benzimidazolecarboxylic acid IUPAC Name: 1-[3-(4-benzylpiperazin-1-yl)phenyl]-2-(1-methoxyethyl)benzimidazole-5-carboxylic acid Traditional Name: 1-[3-(4-benzylpiperazino)phenyl]-2-(1-methoxyethyl)benzimidazole-5-carboxylic acid Formula: C28H30N4O3 MolecularWeight: 470.5628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=C(N1C3=CC(=CC=C3)N4CCN(CC4)CC5=CC=CC=C5)C=CC(=C2)C(=O)O)OC

Isomeric SMILES

CC(C1=NC2=C(N1C3=CC(=CC=C3)N4CCN(CC4)CC5=CC=CC=C5)C=CC(=C2)C(=O)O)OC

InChI

InChI=1S/C28H30N4O3/c1-20(35-2)27-29-25-17-22(28(33)34)11-12-26(25)32(27)24-10-6-9-23(18-24)31-15-13-30(14-16-31)19-21-7-4-3-5-8-21/h3-12,17-18,20H,13-16,19H2,1-2H3,(H,33,34)