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2-[4-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]phenyl]-3H-benzimidazole-5-carboxylic acid

2-[4-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]phenyl]-3H-benzimidazole-5-carboxylic acid

Systemtic Name:2-[4-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]phenyl]-3H-benzimidazole-5-carboxylic acid
Openeye Name:2-[4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]phenyl]-3H-benzimidazole-5-carboxylic acid
CAS Name:2-[4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]phenyl]-3H-benzimidazole-5-carboxylic acid
IUPAC Name:2-[4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]phenyl]-3H-benzimidazole-5-carboxylic acid
Traditional Name:2-[4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]phenyl]-3H-benzimidazole-5-carboxylic acid
Formula: C22H15ClN2O4
MolecularWeight: 406.8185
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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CC3=CC=C(C=C3)C4=NC5=C(N4)C=C(C=C5)C(=O)O)Cl


Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CC3=CC=C(C=C3)C4=NC5=C(N4)C=C(C=C5)C(=O)O)Cl


InChI

InChI=1S/C22H15ClN2O4/c23-16-10-20-19(28-11-29-20)9-15(16)7-12-1-3-13(4-2-12)21-24-17-6-5-14(22(26)27)8-18(17)25-21/h1-6,8-10H,7,11H2,(H,24,25)(H,26,27)


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