2-[4-(5-phenylpentoxy)phenyl]ethyl 3H-benzimidazole-5-carboxylate

Systemtic Name: 2-[4-(5-phenylpentoxy)phenyl]ethyl 3H-benzimidazole-5-carboxylate Openeye Name: 2-[4-(5-phenylpentoxy)phenyl]ethyl 3H-benzimidazole-5-carboxylate CAS Name: 3H-benzimidazole-5-carboxylic acid 2-[4-(5-phenylpentoxy)phenyl]ethyl ester IUPAC Name: 2-[4-(5-phenylpentoxy)phenyl]ethyl 3H-benzimidazole-5-carboxylate Traditional Name: 3H-benzimidazole-5-carboxylic acid 2-[4-(5-phenylpentoxy)phenyl]ethyl ester Formula: C27H28N2O3 MolecularWeight: 428.52282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCOC2=CC=C(C=C2)CCOC(=O)C3=CC4=C(C=C3)N=CN4

Isomeric SMILES

C1=CC=C(C=C1)CCCCCOC2=CC=C(C=C2)CCOC(=O)C3=CC4=C(C=C3)N=CN4

InChI

InChI=1S/C27H28N2O3/c30-27(23-12-15-25-26(19-23)29-20-28-25)32-18-16-22-10-13-24(14-11-22)31-17-6-2-5-9-21-7-3-1-4-8-21/h1,3-4,7-8,10-15,19-20H,2,5-6,9,16-18H2,(H,28,29)