[2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] adamantane-2-carboxylate

Systemtic Name: [2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] adamantane-2-carboxylate Openeye Name: [2-(2-bromo-4-methyl-anilino)-2-oxo-ethyl] adamantane-2-carboxylate CAS Name: 2-adamantanecarboxylic acid [2-(2-bromo-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-methylanilino)-2-oxoethyl] adamantane-2-carboxylate Traditional Name: adamantane-2-carboxylic acid [2-(2-bromo-4-methyl-anilino)-2-keto-ethyl] ester Formula: C20H24BrNO3 MolecularWeight: 406.31346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)COC(=O)C2C3CC4CC(C3)CC2C4)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)COC(=O)C2C3CC4CC(C3)CC2C4)Br

InChI

InChI=1S/C20H24BrNO3/c1-11-2-3-17(16(21)4-11)22-18(23)10-25-20(24)19-14-6-12-5-13(8-14)9-15(19)7-12/h2-4,12-15,19H,5-10H2,1H3,(H,22,23)