[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-(2-methylbenzimidazol-1-yl)ethanoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-(2-methylbenzimidazol-1-yl)ethanoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2-(2-methylbenzimidazol-1-yl)acetate CAS Name: 2-(2-methyl-1-benzimidazolyl)acetic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2-(2-methylbenzimidazol-1-yl)acetate Traditional Name: 2-(2-methylbenzimidazol-1-yl)acetic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C18H23N3O3 MolecularWeight: 329.39352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N1CC(=O)OCC(=O)N3CCCCCC3

Isomeric SMILES

CC1=NC2=CC=CC=C2N1CC(=O)OCC(=O)N3CCCCCC3

InChI

InChI=1S/C18H23N3O3/c1-14-19-15-8-4-5-9-16(15)21(14)12-18(23)24-13-17(22)20-10-6-2-3-7-11-20/h4-5,8-9H,2-3,6-7,10-13H2,1H3