[2-[1-[(2R)-1-methoxypropan-2-yl]-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] adamantane-2-carboxylate

Systemtic Name: [2-[1-[(2R)-1-methoxypropan-2-yl]-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] adamantane-2-carboxylate Openeye Name: [2-[1-[(1R)-2-methoxy-1-methyl-ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] adamantane-2-carboxylate CAS Name: 2-adamantanecarboxylic acid [2-[1-[(2R)-1-methoxypropan-2-yl]-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-[(2R)-1-methoxypropan-2-yl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] adamantane-2-carboxylate Traditional Name: adamantane-2-carboxylic acid [2-keto-2-[1-[(1R)-2-methoxy-1-methyl-ethyl]-2,5-dimethyl-pyrrol-3-yl]ethyl] ester Formula: C23H33NO4 MolecularWeight: 387.51242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)COC)C)C(=O)COC(=O)C2C3CC4CC(C3)CC2C4

Isomeric SMILES

CC1=CC(=C(N1[C@H](C)COC)C)C(=O)COC(=O)C2C3CC4CC(C3)CC2C4

InChI

InChI=1S/C23H33NO4/c1-13-5-20(15(3)24(13)14(2)11-27-4)21(25)12-28-23(26)22-18-7-16-6-17(9-18)10-19(22)8-16/h5,14,16-19,22H,6-12H2,1-4H3/t14-,16?,17?,18?,19?,22?/m1/s1