[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxidanylidene-propan-2-yl] (5S,7R)-3-bromanyladamantane-1-carboxylate

Systemtic Name: [(2R)-1-(2,3-dihydroindol-1-yl)-1-oxidanylidene-propan-2-yl] (5S,7R)-3-bromanyladamantane-1-carboxylate Openeye Name: [(1R)-2-indolin-1-yl-1-methyl-2-oxo-ethyl] (5S,7R)-3-bromoadamantane-1-carboxylate CAS Name: (5S,7R)-3-bromo-1-adamantanecarboxylic acid [(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] (5S,7R)-3-bromoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-bromoadamantane-1-carboxylic acid [(1R)-2-indolin-1-yl-2-keto-1-methyl-ethyl] ester Formula: C22H26BrNO3 MolecularWeight: 432.35074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C21)OC(=O)C34CC5CC(C3)CC(C5)(C4)Br

Isomeric SMILES

C[C@H](C(=O)N1CCC2=CC=CC=C21)OC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)Br

InChI

InChI=1S/C22H26BrNO3/c1-14(19(25)24-7-6-17-4-2-3-5-18(17)24)27-20(26)21-9-15-8-16(10-21)12-22(23,11-15)13-21/h2-5,14-16H,6-13H2,1H3/t14-,15-,16+,21?,22?/m1/s1