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

Systemtic Name: methyl (1S,2R)-2-[(1-adamantylamino)methyl]-1-phenyl-cyclopropane-1-carboxylate Openeye Name: methyl (1S,2R)-2-[(1-adamantylamino)methyl]-1-phenyl-cyclopropanecarboxylate CAS Name: (1S,2R)-2-[(1-adamantylamino)methyl]-1-phenyl-1-cyclopropanecarboxylic acid methyl ester IUPAC Name: methyl (1S,2R)-2-[(1-adamantylamino)methyl]-1-phenylcyclopropane-1-carboxylate Traditional Name: (1S,2R)-2-[(1-adamantylamino)methyl]-1-phenyl-cyclopropanecarboxylic acid methyl ester Formula: C22H29NO2 MolecularWeight: 339.47116

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CC1CNC23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5

Isomeric SMILES

COC(=O)[C@]1(C[C@H]1CNC23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5

InChI

InChI=1S/C22H29NO2/c1-25-20(24)22(18-5-3-2-4-6-18)13-19(22)14-23-21-10-15-7-16(11-21)9-17(8-15)12-21/h2-6,15-17,19,23H,7-14H2,1H3/t15?,16?,17?,19-,21?,22+/m0/s1