[2-[2,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxidanylidene-ethyl] adamantane-2-carboxylate

Systemtic Name: [2-[2,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxidanylidene-ethyl] adamantane-2-carboxylate Openeye Name: [2-[2,5-dimethyl-1-[[(2S)-tetrahydrofuran-2-yl]methyl]pyrrol-3-yl]-2-oxo-ethyl] adamantane-2-carboxylate CAS Name: 2-adamantanecarboxylic acid [2-[2,5-dimethyl-1-[[(2S)-2-oxolanyl]methyl]-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[2,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl] adamantane-2-carboxylate Traditional Name: adamantane-2-carboxylic acid [2-[2,5-dimethyl-1-[[(2S)-tetrahydrofuran-2-yl]methyl]pyrrol-3-yl]-2-keto-ethyl] ester Formula: C24H33NO4 MolecularWeight: 399.52312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2CCCO2)C)C(=O)COC(=O)C3C4CC5CC(C4)CC3C5

Isomeric SMILES

CC1=CC(=C(N1C[C@@H]2CCCO2)C)C(=O)COC(=O)C3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C24H33NO4/c1-14-6-21(15(2)25(14)12-20-4-3-5-28-20)22(26)13-29-24(27)23-18-8-16-7-17(10-18)11-19(23)9-16/h6,16-20,23H,3-5,7-13H2,1-2H3/t16?,17?,18?,19?,20-,23?/m0/s1