[2-oxidanylidene-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] (5S,7R)-3-oxidanyladamantane-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] (5S,7R)-3-oxidanyladamantane-1-carboxylate Openeye Name: (2-oxo-2-tetralin-6-yl-ethyl) (5S,7R)-3-hydroxyadamantane-1-carboxylate CAS Name: (5S,7R)-3-hydroxy-1-adamantanecarboxylic acid [2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] (5S,7R)-3-hydroxyadamantane-1-carboxylate Traditional Name: (5S,7R)-3-hydroxyadamantane-1-carboxylic acid (2-keto-2-tetralin-6-yl-ethyl) ester Formula: C23H28O4 MolecularWeight: 368.46602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=CC(=C2)C(=O)COC(=O)C34CC5CC(C3)CC(C5)(C4)O

Isomeric SMILES

C1CCC2=C(C1)C=CC(=C2)C(=O)COC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)O

InChI

InChI=1S/C23H28O4/c24-20(19-6-5-17-3-1-2-4-18(17)8-19)13-27-21(25)22-9-15-7-16(10-22)12-23(26,11-15)14-22/h5-6,8,15-16,26H,1-4,7,9-14H2/t15-,16+,22?,23?