1-(2-chlorophenyl)ethyl 3-bromanyladamantane-1-carboxylate

Systemtic Name: 1-(2-chlorophenyl)ethyl 3-bromanyladamantane-1-carboxylate Openeye Name: 1-(2-chlorophenyl)ethyl 3-bromoadamantane-1-carboxylate CAS Name: 3-bromo-1-adamantanecarboxylic acid 1-(2-chlorophenyl)ethyl ester IUPAC Name: 1-(2-chlorophenyl)ethyl 3-bromoadamantane-1-carboxylate Traditional Name: 3-bromoadamantane-1-carboxylic acid 1-(2-chlorophenyl)ethyl ester Formula: C19H22BrClO2 MolecularWeight: 397.73378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1Cl)OC(=O)C23CC4CC(C2)CC(C4)(C3)Br

Isomeric SMILES

CC(C1=CC=CC=C1Cl)OC(=O)C23CC4CC(C2)CC(C4)(C3)Br

InChI

InChI=1S/C19H22BrClO2/c1-12(15-4-2-3-5-16(15)21)23-17(22)18-7-13-6-14(8-18)10-19(20,9-13)11-18/h2-5,12-14H,6-11H2,1H3