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

Systemtic Name: (4-cyanophenyl) (5S,7R)-3-chloranyladamantane-1-carboxylate Openeye Name: (4-cyanophenyl) (5S,7R)-3-chloroadamantane-1-carboxylate CAS Name: (5S,7R)-3-chloro-1-adamantanecarboxylic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) (5S,7R)-3-chloroadamantane-1-carboxylate Traditional Name: (5S,7R)-3-chloroadamantane-1-carboxylic acid (4-cyanophenyl) ester Formula: C18H18ClNO2 MolecularWeight: 315.79402

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Cl)C(=O)OC4=CC=C(C=C4)C#N

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)Cl)C(=O)OC4=CC=C(C=C4)C#N

InChI

InChI=1S/C18H18ClNO2/c19-18-8-13-5-14(9-18)7-17(6-13,11-18)16(21)22-15-3-1-12(10-20)2-4-15/h1-4,13-14H,5-9,11H2/t13-,14+,17?,18?