(phenylmethyl) 3-(1-adamantyl)-4a,5,8,8a-tetrahydronaphthalene-2-carboxylate

Systemtic Name: (phenylmethyl) 3-(1-adamantyl)-4a,5,8,8a-tetrahydronaphthalene-2-carboxylate Openeye Name: benzyl 3-(1-adamantyl)-4a,5,8,8a-tetrahydronaphthalene-2-carboxylate CAS Name: 3-(1-adamantyl)-4a,5,8,8a-tetrahydronaphthalene-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(1-adamantyl)-4a,5,8,8a-tetrahydronaphthalene-2-carboxylate Traditional Name: 3-(1-adamantyl)-4a,5,8,8a-tetrahydronaphthalene-2-carboxylic acid benzyl ester Formula: C28H32O2 MolecularWeight: 400.55248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC2C1C=C(C(=C2)C34CC5CC(C3)CC(C5)C4)C(=O)OCC6=CC=CC=C6

Isomeric SMILES

C1C=CCC2C1C=C(C(=C2)C34CC5CC(C3)CC(C5)C4)C(=O)OCC6=CC=CC=C6

InChI

InChI=1S/C28H32O2/c29-27(30-18-19-6-2-1-3-7-19)25-13-23-8-4-5-9-24(23)14-26(25)28-15-20-10-21(16-28)12-22(11-20)17-28/h1-7,13-14,20-24H,8-12,15-18H2