ethyl 4-[[1-[(5-ethoxycarbonylfuran-2-yl)methyl]benzimidazol-2-yl]amino]azepane-1-carboxylate

Systemtic Name: ethyl 4-[[1-[(5-ethoxycarbonylfuran-2-yl)methyl]benzimidazol-2-yl]amino]azepane-1-carboxylate Openeye Name: ethyl 4-[[1-[(5-ethoxycarbonyl-2-furyl)methyl]benzimidazol-2-yl]amino]azepane-1-carboxylate CAS Name: 4-[[1-[(5-ethoxycarbonyl-2-furanyl)methyl]-2-benzimidazolyl]amino]-1-azepanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[1-[(5-ethoxycarbonylfuran-2-yl)methyl]benzimidazol-2-yl]amino]azepane-1-carboxylate Traditional Name: 4-[[1-[(5-carbethoxy-2-furyl)methyl]benzimidazol-2-yl]amino]azepane-1-carboxylic acid ethyl ester Formula: C24H30N4O5 MolecularWeight: 454.5188

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(O1)CN2C3=CC=CC=C3N=C2NC4CCCN(CC4)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC=C(O1)CN2C3=CC=CC=C3N=C2NC4CCCN(CC4)C(=O)OCC

InChI

InChI=1S/C24H30N4O5/c1-3-31-22(29)21-12-11-18(33-21)16-28-20-10-6-5-9-19(20)26-23(28)25-17-8-7-14-27(15-13-17)24(30)32-4-2/h5-6,9-12,17H,3-4,7-8,13-16H2,1-2H3,(H,25,26)