ethyl 4-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]benzimidazol-2-yl]-1,4-diazepane-1-carboxylate

Systemtic Name: ethyl 4-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]benzimidazol-2-yl]-1,4-diazepane-1-carboxylate Openeye Name: ethyl 4-[1-[[5-(hydroxymethyl)-2-furyl]methyl]benzimidazol-2-yl]-1,4-diazepane-1-carboxylate CAS Name: 4-[1-[[5-(hydroxymethyl)-2-furanyl]methyl]-2-benzimidazolyl]-1,4-diazepane-1-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]benzimidazol-2-yl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[1-[(5-methylol-2-furyl)methyl]benzimidazol-2-yl]-1,4-diazepane-1-carboxylic acid ethyl ester Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCCN(CC1)C2=NC3=CC=CC=C3N2CC4=CC=C(O4)CO

Isomeric SMILES

CCOC(=O)N1CCCN(CC1)C2=NC3=CC=CC=C3N2CC4=CC=C(O4)CO

InChI

InChI=1S/C21H26N4O4/c1-2-28-21(27)24-11-5-10-23(12-13-24)20-22-18-6-3-4-7-19(18)25(20)14-16-8-9-17(15-26)29-16/h3-4,6-9,26H,2,5,10-15H2,1H3