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

Systemtic Name: methyl (3R,5S)-4-[[1-(4-chlorophenyl)cyclobutyl]carbonylamino]adamantane-1-carboxylate Openeye Name: methyl (3R,5S)-4-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]adamantane-1-carboxylate CAS Name: (3R,5S)-4-[[[1-(4-chlorophenyl)cyclobutyl]-oxomethyl]amino]-1-adamantanecarboxylic acid methyl ester IUPAC Name: methyl (3R,5S)-4-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]adamantane-1-carboxylate Traditional Name: (3R,5S)-4-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]adamantane-1-carboxylic acid methyl ester Formula: C23H28ClNO3 MolecularWeight: 401.92632

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C12CC3CC(C1)C(C(C3)C2)NC(=O)C4(CCC4)C5=CC=C(C=C5)Cl

Isomeric SMILES

COC(=O)C12C[C@H]3CC(C1)C[C@@H](C2)C3NC(=O)C4(CCC4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C23H28ClNO3/c1-28-21(27)22-11-14-9-15(12-22)19(16(10-14)13-22)25-20(26)23(7-2-8-23)17-3-5-18(24)6-4-17/h3-6,14-16,19H,2,7-13H2,1H3,(H,25,26)/t14?,15-,16+,19?,22?