[(2S)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxidanylidene-propan-2-yl] (5S,7R)-3-acetamidoadamantane-1-carboxylate

Systemtic Name: [(2S)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxidanylidene-propan-2-yl] (5S,7R)-3-acetamidoadamantane-1-carboxylate Openeye Name: [(1S)-2-indan-5-yl-1-methyl-2-oxo-ethyl] (5S,7R)-3-acetamidoadamantane-1-carboxylate CAS Name: (5S,7R)-3-acetamido-1-adamantanecarboxylic acid [(2S)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] (5S,7R)-3-acetamidoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-acetamidoadamantane-1-carboxylic acid [(1S)-2-indan-5-yl-2-keto-1-methyl-ethyl] ester Formula: C25H31NO4 MolecularWeight: 409.51794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(CCC2)C=C1)OC(=O)C34CC5CC(C3)CC(C5)(C4)NC(=O)C

Isomeric SMILES

C[C@@H](C(=O)C1=CC2=C(CCC2)C=C1)OC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)NC(=O)C

InChI

InChI=1S/C25H31NO4/c1-15(22(28)21-7-6-19-4-3-5-20(19)9-21)30-23(29)24-10-17-8-18(11-24)13-25(12-17,14-24)26-16(2)27/h6-7,9,15,17-18H,3-5,8,10-14H2,1-2H3,(H,26,27)/t15-,17-,18+,24?,25?/m0/s1