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

Systemtic Name: [(2S)-1-(1-ethanoyl-2,3-dihydroindol-5-yl)-1-oxidanylidene-propan-2-yl] (5S,7R)-3-acetamidoadamantane-1-carboxylate Openeye Name: [(1S)-2-(1-acetylindolin-5-yl)-1-methyl-2-oxo-ethyl] (5S,7R)-3-acetamidoadamantane-1-carboxylate CAS Name: (5S,7R)-3-acetamido-1-adamantanecarboxylic acid [(2S)-1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] (5S,7R)-3-acetamidoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-acetamidoadamantane-1-carboxylic acid [(1S)-2-(1-acetylindolin-5-yl)-2-keto-1-methyl-ethyl] ester Formula: C26H32N2O5 MolecularWeight: 452.54268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(C=C1)N(CC2)C(=O)C)OC(=O)C34CC5CC(C3)CC(C5)(C4)NC(=O)C

Isomeric SMILES

C[C@@H](C(=O)C1=CC2=C(C=C1)N(CC2)C(=O)C)OC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)NC(=O)C

InChI

InChI=1S/C26H32N2O5/c1-15(23(31)21-4-5-22-20(9-21)6-7-28(22)17(3)30)33-24(32)25-10-18-8-19(11-25)13-26(12-18,14-25)27-16(2)29/h4-5,9,15,18-19H,6-8,10-14H2,1-3H3,(H,27,29)/t15-,18-,19+,25?,26?/m0/s1