(4-propanoylphenyl) 3-chloranyladamantane-1-carboxylate

Systemtic Name: (4-propanoylphenyl) 3-chloranyladamantane-1-carboxylate Openeye Name: (4-propanoylphenyl) 3-chloroadamantane-1-carboxylate CAS Name: 3-chloro-1-adamantanecarboxylic acid [4-(1-oxopropyl)phenyl] ester IUPAC Name: (4-propanoylphenyl) 3-chloroadamantane-1-carboxylate Traditional Name: 3-chloroadamantane-1-carboxylic acid (4-propionylphenyl) ester Formula: C20H23ClO3 MolecularWeight: 346.84782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OC(=O)C23CC4CC(C2)CC(C4)(C3)Cl

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OC(=O)C23CC4CC(C2)CC(C4)(C3)Cl

InChI

InChI=1S/C20H23ClO3/c1-2-17(22)15-3-5-16(6-4-15)24-18(23)19-8-13-7-14(9-19)11-20(21,10-13)12-19/h3-6,13-14H,2,7-12H2,1H3