(4-cyanophenyl)methyl (5S,7R)-3-bromanyladamantane-1-carboxylate

Systemtic Name: (4-cyanophenyl)methyl (5S,7R)-3-bromanyladamantane-1-carboxylate Openeye Name: (4-cyanophenyl)methyl (5S,7R)-3-bromoadamantane-1-carboxylate CAS Name: (5S,7R)-3-bromo-1-adamantanecarboxylic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl (5S,7R)-3-bromoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-bromoadamantane-1-carboxylic acid (4-cyanobenzyl) ester Formula: C19H20BrNO2 MolecularWeight: 374.2716

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Br)C(=O)OCC4=CC=C(C=C4)C#N

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)Br)C(=O)OCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C19H20BrNO2/c20-19-8-15-5-16(9-19)7-18(6-15,12-19)17(22)23-11-14-3-1-13(10-21)2-4-14/h1-4,15-16H,5-9,11-12H2/t15-,16+,18?,19?