methyl (3S,5R)-4-[(1-phenylcyclopropyl)carbonylamino]adamantane-1-carboxylate

Systemtic Name: methyl (3S,5R)-4-[(1-phenylcyclopropyl)carbonylamino]adamantane-1-carboxylate Openeye Name: methyl (3S,5R)-4-[(1-phenylcyclopropanecarbonyl)amino]adamantane-1-carboxylate CAS Name: (3S,5R)-4-[[oxo-(1-phenylcyclopropyl)methyl]amino]-1-adamantanecarboxylic acid methyl ester IUPAC Name: methyl (3S,5R)-4-[(1-phenylcyclopropanecarbonyl)amino]adamantane-1-carboxylate Traditional Name: (3S,5R)-4-[(1-phenylcyclopropanecarbonyl)amino]adamantane-1-carboxylic acid methyl ester Formula: C22H27NO3 MolecularWeight: 353.45468

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C12CC3CC(C1)C(C(C3)C2)NC(=O)C4(CC4)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C12C[C@H]3CC(C1)C[C@@H](C2)C3NC(=O)C4(CC4)C5=CC=CC=C5

InChI

InChI=1S/C22H27NO3/c1-26-20(25)21-11-14-9-15(12-21)18(16(10-14)13-21)23-19(24)22(7-8-22)17-5-3-2-4-6-17/h2-6,14-16,18H,7-13H2,1H3,(H,23,24)/t14?,15-,16+,18?,21?