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

Systemtic Name: 2-[2-(azepan-1-ylmethyl)benzimidazol-1-yl]ethanoic acid Openeye Name: 2-[2-(azepan-1-ylmethyl)benzimidazol-1-yl]acetic acid CAS Name: 2-[2-(1-azepanylmethyl)-1-benzimidazolyl]acetic acid IUPAC Name: 2-[2-(azepan-1-ylmethyl)benzimidazol-1-yl]acetic acid Traditional Name: 2-[2-(azepan-1-ylmethyl)benzimidazol-1-yl]acetic acid Formula: C16H21N3O2 MolecularWeight: 287.35684

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2=NC3=CC=CC=C3N2CC(=O)O

Isomeric SMILES

C1CCCN(CC1)CC2=NC3=CC=CC=C3N2CC(=O)O

InChI

InChI=1S/C16H21N3O2/c20-16(21)12-19-14-8-4-3-7-13(14)17-15(19)11-18-9-5-1-2-6-10-18/h3-4,7-8H,1-2,5-6,9-12H2,(H,20,21)