[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl] 1-(1-adamantylcarbonyl)pyrrolidine-2-carboxylate

Systemtic Name: [2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl] 1-(1-adamantylcarbonyl)pyrrolidine-2-carboxylate Openeye Name: [2-(4-bromoanilino)-2-oxo-ethyl] 1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylate CAS Name: 1-[1-adamantyl(oxo)methyl]-2-pyrrolidinecarboxylic acid [2-(4-bromoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromoanilino)-2-oxoethyl] 1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylate Traditional Name: 1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylic acid [2-(4-bromoanilino)-2-keto-ethyl] ester Formula: C24H29BrN2O4 MolecularWeight: 489.40206

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C23CC4CC(C2)CC(C4)C3)C(=O)OCC(=O)NC5=CC=C(C=C5)Br

Isomeric SMILES

C1CC(N(C1)C(=O)C23CC4CC(C2)CC(C4)C3)C(=O)OCC(=O)NC5=CC=C(C=C5)Br

InChI

InChI=1S/C24H29BrN2O4/c25-18-3-5-19(6-4-18)26-21(28)14-31-22(29)20-2-1-7-27(20)23(30)24-11-15-8-16(12-24)10-17(9-15)13-24/h3-6,15-17,20H,1-2,7-14H2,(H,26,28)