methyl 3-[[4-(imidazol-1-ylmethyl)phenyl]carbonylamino]adamantane-1-carboxylate

Systemtic Name: methyl 3-[[4-(imidazol-1-ylmethyl)phenyl]carbonylamino]adamantane-1-carboxylate Openeye Name: methyl 3-[[4-(imidazol-1-ylmethyl)benzoyl]amino]adamantane-1-carboxylate CAS Name: 3-[[[4-(1-imidazolylmethyl)phenyl]-oxomethyl]amino]-1-adamantanecarboxylic acid methyl ester IUPAC Name: methyl 3-[[4-(imidazol-1-ylmethyl)benzoyl]amino]adamantane-1-carboxylate Traditional Name: 3-[[4-(imidazol-1-ylmethyl)benzoyl]amino]adamantane-1-carboxylic acid methyl ester Formula: C23H27N3O3 MolecularWeight: 393.47878

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C12CC3CC(C1)CC(C3)(C2)NC(=O)C4=CC=C(C=C4)CN5C=CN=C5

Isomeric SMILES

COC(=O)C12CC3CC(C1)CC(C3)(C2)NC(=O)C4=CC=C(C=C4)CN5C=CN=C5

InChI

InChI=1S/C23H27N3O3/c1-29-21(28)22-9-17-8-18(10-22)12-23(11-17,14-22)25-20(27)19-4-2-16(3-5-19)13-26-7-6-24-15-26/h2-7,15,17-18H,8-14H2,1H3,(H,25,27)