(5-chloranyl-1-methyl-imidazol-2-yl)methyl 3-phenyladamantane-1-carboxylate

Systemtic Name: (5-chloranyl-1-methyl-imidazol-2-yl)methyl 3-phenyladamantane-1-carboxylate Openeye Name: (5-chloro-1-methyl-imidazol-2-yl)methyl 3-phenyladamantane-1-carboxylate CAS Name: 3-phenyl-1-adamantanecarboxylic acid (5-chloro-1-methyl-2-imidazolyl)methyl ester IUPAC Name: (5-chloro-1-methylimidazol-2-yl)methyl 3-phenyladamantane-1-carboxylate Traditional Name: 3-phenyladamantane-1-carboxylic acid (5-chloro-1-methyl-imidazol-2-yl)methyl ester Formula: C22H25ClN2O2 MolecularWeight: 384.8991

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1COC(=O)C23CC4CC(C2)CC(C4)(C3)C5=CC=CC=C5)Cl

Isomeric SMILES

CN1C(=CN=C1COC(=O)C23CC4CC(C2)CC(C4)(C3)C5=CC=CC=C5)Cl

InChI

InChI=1S/C22H25ClN2O2/c1-25-18(23)12-24-19(25)13-27-20(26)22-10-15-7-16(11-22)9-21(8-15,14-22)17-5-3-2-4-6-17/h2-6,12,15-16H,7-11,13-14H2,1H3