[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 4-(4,5-dimethyl-1H-imidazol-2-yl)benzoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 4-(4,5-dimethyl-1H-imidazol-2-yl)benzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 4-(4,5-dimethyl-1H-imidazol-2-yl)benzoate CAS Name: 4-(4,5-dimethyl-1H-imidazol-2-yl)benzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 4-(4,5-dimethyl-1H-imidazol-2-yl)benzoate Traditional Name: 4-(4,5-dimethyl-1H-imidazol-2-yl)benzoic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C20H25N3O3 MolecularWeight: 355.4308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N1)C2=CC=C(C=C2)C(=O)OCC(=O)N3CCCCCC3)C

Isomeric SMILES

CC1=C(N=C(N1)C2=CC=C(C=C2)C(=O)OCC(=O)N3CCCCCC3)C

InChI

InChI=1S/C20H25N3O3/c1-14-15(2)22-19(21-14)16-7-9-17(10-8-16)20(25)26-13-18(24)23-11-5-3-4-6-12-23/h7-10H,3-6,11-13H2,1-2H3,(H,21,22)