[(2S)-1-[(2,4-dichlorophenyl)amino]-1-oxidanylidene-propan-2-yl] (5S,7R)-3-phenyladamantane-1-carboxylate

Systemtic Name: [(2S)-1-[(2,4-dichlorophenyl)amino]-1-oxidanylidene-propan-2-yl] (5S,7R)-3-phenyladamantane-1-carboxylate Openeye Name: [(1S)-2-(2,4-dichloroanilino)-1-methyl-2-oxo-ethyl] (5S,7R)-3-phenyladamantane-1-carboxylate CAS Name: (5S,7R)-3-phenyl-1-adamantanecarboxylic acid [(2S)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] (5S,7R)-3-phenyladamantane-1-carboxylate Traditional Name: (5S,7R)-3-phenyladamantane-1-carboxylic acid [(1S)-2-(2,4-dichloroanilino)-2-keto-1-methyl-ethyl] ester Formula: C26H27Cl2NO3 MolecularWeight: 472.40348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)Cl)Cl)OC(=O)C23CC4CC(C2)CC(C4)(C3)C5=CC=CC=C5

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=C(C=C1)Cl)Cl)OC(=O)C23C[C@@H]4C[C@H](C2)CC(C4)(C3)C5=CC=CC=C5

InChI

InChI=1S/C26H27Cl2NO3/c1-16(23(30)29-22-8-7-20(27)10-21(22)28)32-24(31)26-13-17-9-18(14-26)12-25(11-17,15-26)19-5-3-2-4-6-19/h2-8,10,16-18H,9,11-15H2,1H3,(H,29,30)/t16-,17-,18+,25?,26?/m0/s1