4-[2-(azepan-1-ylmethyl)benzimidazol-1-yl]butanoic acid

Systemtic Name: 4-[2-(azepan-1-ylmethyl)benzimidazol-1-yl]butanoic acid Openeye Name: 4-[2-(azepan-1-ylmethyl)benzimidazol-1-yl]butanoic acid CAS Name: 4-[2-(1-azepanylmethyl)-1-benzimidazolyl]butanoic acid IUPAC Name: 4-[2-(azepan-1-ylmethyl)benzimidazol-1-yl]butanoic acid Traditional Name: 4-[2-(azepan-1-ylmethyl)benzimidazol-1-yl]butyric acid Formula: C18H25N3O2 MolecularWeight: 315.41

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2=NC3=CC=CC=C3N2CCCC(=O)O

Isomeric SMILES

C1CCCN(CC1)CC2=NC3=CC=CC=C3N2CCCC(=O)O

InChI

InChI=1S/C18H25N3O2/c22-18(23)10-7-13-21-16-9-4-3-8-15(16)19-17(21)14-20-11-5-1-2-6-12-20/h3-4,8-9H,1-2,5-7,10-14H2,(H,22,23)