methyl (1R,2S)-2-[(1-adamantylmethylamino)methyl]-1-phenyl-cyclopropane-1-carboxylate

Systemtic Name: methyl (1R,2S)-2-[(1-adamantylmethylamino)methyl]-1-phenyl-cyclopropane-1-carboxylate Openeye Name: methyl (1R,2S)-2-[(1-adamantylmethylamino)methyl]-1-phenyl-cyclopropanecarboxylate CAS Name: (1R,2S)-2-[(1-adamantylmethylamino)methyl]-1-phenyl-1-cyclopropanecarboxylic acid methyl ester IUPAC Name: methyl (1R,2S)-2-[(1-adamantylmethylamino)methyl]-1-phenylcyclopropane-1-carboxylate Traditional Name: (1R,2S)-2-[(1-adamantylmethylamino)methyl]-1-phenyl-cyclopropanecarboxylic acid methyl ester Formula: C23H31NO2 MolecularWeight: 353.49774

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CC1CNCC23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5

Isomeric SMILES

COC(=O)[C@@]1(C[C@@H]1CNCC23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5

InChI

InChI=1S/C23H31NO2/c1-26-21(25)23(19-5-3-2-4-6-19)13-20(23)14-24-15-22-10-16-7-17(11-22)9-18(8-16)12-22/h2-6,16-18,20,24H,7-15H2,1H3/t16?,17?,18?,20-,22?,23+/m1/s1