2-azanyl-1-[(5-chloranyl-2-oxidanyl-phenyl)methyl]-5-(piperidin-4-ylmethyl)benzimidazole-4-carboxylic acid

Systemtic Name: 2-azanyl-1-[(5-chloranyl-2-oxidanyl-phenyl)methyl]-5-(piperidin-4-ylmethyl)benzimidazole-4-carboxylic acid Openeye Name: 2-amino-1-[(5-chloro-2-hydroxy-phenyl)methyl]-5-(4-piperidylmethyl)benzimidazole-4-carboxylic acid CAS Name: 2-amino-1-[(5-chloro-2-hydroxyphenyl)methyl]-5-(4-piperidinylmethyl)-4-benzimidazolecarboxylic acid IUPAC Name: 2-amino-1-[(5-chloro-2-hydroxyphenyl)methyl]-5-(piperidin-4-ylmethyl)benzimidazole-4-carboxylic acid Traditional Name: 2-amino-1-(5-chloro-2-hydroxy-benzyl)-5-(4-piperidylmethyl)benzimidazole-4-carboxylic acid Formula: C21H23ClN4O3 MolecularWeight: 414.88532

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CC2=C(C3=C(C=C2)N(C(=N3)N)CC4=C(C=CC(=C4)Cl)O)C(=O)O

Isomeric SMILES

C1CNCCC1CC2=C(C3=C(C=C2)N(C(=N3)N)CC4=C(C=CC(=C4)Cl)O)C(=O)O

InChI

InChI=1S/C21H23ClN4O3/c22-15-2-4-17(27)14(10-15)11-26-16-3-1-13(9-12-5-7-24-8-6-12)18(20(28)29)19(16)25-21(26)23/h1-4,10,12,24,27H,5-9,11H2,(H2,23,25)(H,28,29)