1-cyclopentyl-2-[4-(4-ethylpiperazin-1-yl)carbonylphenyl]benzimidazole-5-carboxylic acid

Systemtic Name: 1-cyclopentyl-2-[4-(4-ethylpiperazin-1-yl)carbonylphenyl]benzimidazole-5-carboxylic acid Openeye Name: 1-cyclopentyl-2-[4-(4-ethylpiperazine-1-carbonyl)phenyl]benzimidazole-5-carboxylic acid CAS Name: 1-cyclopentyl-2-[4-[(4-ethyl-1-piperazinyl)-oxomethyl]phenyl]-5-benzimidazolecarboxylic acid IUPAC Name: 1-cyclopentyl-2-[4-(4-ethylpiperazine-1-carbonyl)phenyl]benzimidazole-5-carboxylic acid Traditional Name: 1-cyclopentyl-2-[4-(4-ethylpiperazine-1-carbonyl)phenyl]benzimidazole-5-carboxylic acid Formula: C26H30N4O3 MolecularWeight: 446.5414

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C2=CC=C(C=C2)C3=NC4=C(N3C5CCCC5)C=CC(=C4)C(=O)O

Isomeric SMILES

CCN1CCN(CC1)C(=O)C2=CC=C(C=C2)C3=NC4=C(N3C5CCCC5)C=CC(=C4)C(=O)O

InChI

InChI=1S/C26H30N4O3/c1-2-28-13-15-29(16-14-28)25(31)19-9-7-18(8-10-19)24-27-22-17-20(26(32)33)11-12-23(22)30(24)21-5-3-4-6-21/h7-12,17,21H,2-6,13-16H2,1H3,(H,32,33)