(4-cyano-2-methoxy-phenyl) (5S,7R)-3-chloranyladamantane-1-carboxylate

Systemtic Name: (4-cyano-2-methoxy-phenyl) (5S,7R)-3-chloranyladamantane-1-carboxylate Openeye Name: (4-cyano-2-methoxy-phenyl) (5S,7R)-3-chloroadamantane-1-carboxylate CAS Name: (5S,7R)-3-chloro-1-adamantanecarboxylic acid (4-cyano-2-methoxyphenyl) ester IUPAC Name: (4-cyano-2-methoxyphenyl) (5S,7R)-3-chloroadamantane-1-carboxylate Traditional Name: (5S,7R)-3-chloroadamantane-1-carboxylic acid (4-cyano-2-methoxy-phenyl) ester Formula: C19H20ClNO3 MolecularWeight: 345.82

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C#N)OC(=O)C23CC4CC(C2)CC(C4)(C3)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)C#N)OC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)Cl

InChI

InChI=1S/C19H20ClNO3/c1-23-16-5-12(10-21)2-3-15(16)24-17(22)18-6-13-4-14(7-18)9-19(20,8-13)11-18/h2-3,5,13-14H,4,6-9,11H2,1H3/t13-,14+,18?,19?