4-(3-phenylmethoxypropyl)-1H-benzimidazole-2-carboxylic acid

Systemtic Name: 4-(3-phenylmethoxypropyl)-1H-benzimidazole-2-carboxylic acid Openeye Name: 4-(3-benzyloxypropyl)-1H-benzimidazole-2-carboxylic acid CAS Name: 4-(3-phenylmethoxypropyl)-1H-benzimidazole-2-carboxylic acid IUPAC Name: 4-(3-phenylmethoxypropyl)-1H-benzimidazole-2-carboxylic acid Traditional Name: 4-(3-benzoxypropyl)-1H-benzimidazole-2-carboxylic acid Formula: C18H18N2O3 MolecularWeight: 310.34712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCCCC2=C3C(=CC=C2)NC(=N3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COCCCC2=C3C(=CC=C2)NC(=N3)C(=O)O

InChI

InChI=1S/C18H18N2O3/c21-18(22)17-19-15-10-4-8-14(16(15)20-17)9-5-11-23-12-13-6-2-1-3-7-13/h1-4,6-8,10H,5,9,11-12H2,(H,19,20)(H,21,22)