1H-benzimidazol-2-ylmethyl 3-(4-methylphenyl)adamantane-1-carboxylate

Systemtic Name: 1H-benzimidazol-2-ylmethyl 3-(4-methylphenyl)adamantane-1-carboxylate Openeye Name: 1H-benzimidazol-2-ylmethyl 3-(p-tolyl)adamantane-1-carboxylate CAS Name: 3-(4-methylphenyl)-1-adamantanecarboxylic acid 1H-benzimidazol-2-ylmethyl ester IUPAC Name: 1H-benzimidazol-2-ylmethyl 3-(4-methylphenyl)adamantane-1-carboxylate Traditional Name: 3-(p-tolyl)adamantane-1-carboxylic acid 1H-benzimidazol-2-ylmethyl ester Formula: C26H28N2O2 MolecularWeight: 400.51272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)OCC5=NC6=CC=CC=C6N5

Isomeric SMILES

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)OCC5=NC6=CC=CC=C6N5

InChI

InChI=1S/C26H28N2O2/c1-17-6-8-20(9-7-17)25-11-18-10-19(12-25)14-26(13-18,16-25)24(29)30-15-23-27-21-4-2-3-5-22(21)28-23/h2-9,18-19H,10-16H2,1H3,(H,27,28)