[1-[(3-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-bromanyladamantane-1-carboxylate

Systemtic Name: [1-[(3-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-bromanyladamantane-1-carboxylate Openeye Name: [2-(3-acetylanilino)-1-methyl-2-oxo-ethyl] 3-bromoadamantane-1-carboxylate CAS Name: 3-bromo-1-adamantanecarboxylic acid [1-(3-acetylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-acetylanilino)-1-oxopropan-2-yl] 3-bromoadamantane-1-carboxylate Traditional Name: 3-bromoadamantane-1-carboxylic acid [2-(3-acetylanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H26BrNO4 MolecularWeight: 448.35014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C(=O)C)OC(=O)C23CC4CC(C2)CC(C4)(C3)Br

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)C(=O)C)OC(=O)C23CC4CC(C2)CC(C4)(C3)Br

InChI

InChI=1S/C22H26BrNO4/c1-13(25)17-4-3-5-18(7-17)24-19(26)14(2)28-20(27)21-8-15-6-16(9-21)11-22(23,10-15)12-21/h3-5,7,14-16H,6,8-12H2,1-2H3,(H,24,26)