[2-[[2,6-bis(bromanyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl] adamantane-1-carboxylate

Systemtic Name: [2-[[2,6-bis(bromanyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl] adamantane-1-carboxylate Openeye Name: [2-(2,6-dibromo-4-methyl-anilino)-2-oxo-ethyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [2-(2,6-dibromo-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dibromo-4-methylanilino)-2-oxoethyl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [2-(2,6-dibromo-4-methyl-anilino)-2-keto-ethyl] ester Formula: C20H23Br2NO3 MolecularWeight: 485.20952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)NC(=O)COC(=O)C23CC4CC(C2)CC(C4)C3)Br

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)NC(=O)COC(=O)C23CC4CC(C2)CC(C4)C3)Br

InChI

InChI=1S/C20H23Br2NO3/c1-11-2-15(21)18(16(22)3-11)23-17(24)10-26-19(25)20-7-12-4-13(8-20)6-14(5-12)9-20/h2-3,12-14H,4-10H2,1H3,(H,23,24)