methyl 3-[2-(benzimidazol-1-yl)ethanoylamino]adamantane-1-carboxylate

Systemtic Name: methyl 3-[2-(benzimidazol-1-yl)ethanoylamino]adamantane-1-carboxylate Openeye Name: methyl 3-[[2-(benzimidazol-1-yl)acetyl]amino]adamantane-1-carboxylate CAS Name: 3-[[2-(1-benzimidazolyl)-1-oxoethyl]amino]-1-adamantanecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(benzimidazol-1-yl)acetyl]amino]adamantane-1-carboxylate Traditional Name: 3-[[2-(benzimidazol-1-yl)acetyl]amino]adamantane-1-carboxylic acid methyl ester Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C12CC3CC(C1)CC(C3)(C2)NC(=O)CN4C=NC5=CC=CC=C54

Isomeric SMILES

COC(=O)C12CC3CC(C1)CC(C3)(C2)NC(=O)CN4C=NC5=CC=CC=C54

InChI

InChI=1S/C21H25N3O3/c1-27-19(26)20-7-14-6-15(8-20)10-21(9-14,12-20)23-18(25)11-24-13-22-16-4-2-3-5-17(16)24/h2-5,13-15H,6-12H2,1H3,(H,23,25)