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

Systemtic Name: [(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxidanylidene-propan-2-yl] (5S,7R)-3-oxidanyladamantane-1-carboxylate Openeye Name: [(1R)-2-indan-5-yl-1-methyl-2-oxo-ethyl] (5S,7R)-3-hydroxyadamantane-1-carboxylate CAS Name: (5S,7R)-3-hydroxy-1-adamantanecarboxylic acid [(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] (5S,7R)-3-hydroxyadamantane-1-carboxylate Traditional Name: (5S,7R)-3-hydroxyadamantane-1-carboxylic acid [(1R)-2-indan-5-yl-2-keto-1-methyl-ethyl] ester Formula: C23H28O4 MolecularWeight: 368.46602

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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)O

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)O

InChI

InChI=1S/C23H28O4/c1-14(20(24)19-6-5-17-3-2-4-18(17)8-19)27-21(25)22-9-15-7-16(10-22)12-23(26,11-15)13-22/h5-6,8,14-16,26H,2-4,7,9-13H2,1H3/t14-,15-,16+,22?,23?/m1/s1