[cyano-(3-phenoxyphenyl)methyl] adamantane-1-carboxylate

Systemtic Name: [cyano-(3-phenoxyphenyl)methyl] adamantane-1-carboxylate Openeye Name: [cyano-(3-phenoxyphenyl)methyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [cyano-(3-phenoxyphenyl)methyl] ester IUPAC Name: [cyano-(3-phenoxyphenyl)methyl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [cyano-(3-phenoxyphenyl)methyl] ester Formula: C25H25NO3 MolecularWeight: 387.4709

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)OC(C#N)C4=CC(=CC=C4)OC5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)OC(C#N)C4=CC(=CC=C4)OC5=CC=CC=C5

InChI

InChI=1S/C25H25NO3/c26-16-23(20-5-4-8-22(12-20)28-21-6-2-1-3-7-21)29-24(27)25-13-17-9-18(14-25)11-19(10-17)15-25/h1-8,12,17-19,23H,9-11,13-15H2