[2-[(4-iodanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-bromanyladamantane-1-carboxylate

Systemtic Name: [2-[(4-iodanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-bromanyladamantane-1-carboxylate Openeye Name: [2-(4-iodo-2-methyl-anilino)-2-oxo-ethyl] 3-bromoadamantane-1-carboxylate CAS Name: 3-bromo-1-adamantanecarboxylic acid [2-(4-iodo-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-iodo-2-methylanilino)-2-oxoethyl] 3-bromoadamantane-1-carboxylate Traditional Name: 3-bromoadamantane-1-carboxylic acid [2-(4-iodo-2-methyl-anilino)-2-keto-ethyl] ester Formula: C20H23BrINO3 MolecularWeight: 532.20999

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23BrINO3/c1-12-4-15(22)2-3-16(12)23-17(24)10-26-18(25)19-6-13-5-14(7-19)9-20(21,8-13)11-19/h2-4,13-14H,5-11H2,1H3,(H,23,24)