methyl 3-[(4-phenyloxan-4-yl)carbonylamino]adamantane-1-carboxylate

Systemtic Name: methyl 3-[(4-phenyloxan-4-yl)carbonylamino]adamantane-1-carboxylate Openeye Name: methyl 3-[(4-phenyltetrahydropyran-4-carbonyl)amino]adamantane-1-carboxylate CAS Name: 3-[[oxo-(4-phenyl-4-oxanyl)methyl]amino]-1-adamantanecarboxylic acid methyl ester IUPAC Name: methyl 3-[(4-phenyloxane-4-carbonyl)amino]adamantane-1-carboxylate Traditional Name: 3-[(4-phenyltetrahydropyran-4-carbonyl)amino]adamantane-1-carboxylic acid methyl ester Formula: C24H31NO4 MolecularWeight: 397.50724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C12CC3CC(C1)CC(C3)(C2)NC(=O)C4(CCOCC4)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C12CC3CC(C1)CC(C3)(C2)NC(=O)C4(CCOCC4)C5=CC=CC=C5

InChI

InChI=1S/C24H31NO4/c1-28-21(27)22-12-17-11-18(13-22)15-23(14-17,16-22)25-20(26)24(7-9-29-10-8-24)19-5-3-2-4-6-19/h2-6,17-18H,7-16H2,1H3,(H,25,26)