[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 3-bromanyladamantane-1-carboxylate

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 3-bromanyladamantane-1-carboxylate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 3-bromoadamantane-1-carboxylate CAS Name: 3-bromo-1-adamantanecarboxylic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 3-bromoadamantane-1-carboxylate Traditional Name: 3-bromoadamantane-1-carboxylic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C22H26BrNO3 MolecularWeight: 432.35074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)COC(=O)C34CC5CC(C3)CC(C5)(C4)Br

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)COC(=O)C34CC5CC(C3)CC(C5)(C4)Br

InChI

InChI=1S/C22H26BrNO3/c23-22-10-15-7-16(11-22)9-21(8-15,14-22)20(26)27-13-19(25)24-6-5-17-3-1-2-4-18(17)12-24/h1-4,15-16H,5-14H2