[(2R)-1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl] (5S,7S)-3-chloranyladamantane-1-carboxylate

Systemtic Name: [(2R)-1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl] (5S,7S)-3-chloranyladamantane-1-carboxylate Openeye Name: [(1R)-2-(cyclopentylamino)-1-methyl-2-oxo-ethyl] (5S,7S)-3-chloroadamantane-1-carboxylate CAS Name: (5S,7S)-3-chloro-1-adamantanecarboxylic acid [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] (5S,7S)-3-chloroadamantane-1-carboxylate Traditional Name: (5S,7S)-3-chloroadamantane-1-carboxylic acid [(1R)-2-(cyclopentylamino)-2-keto-1-methyl-ethyl] ester Formula: C19H28ClNO3 MolecularWeight: 353.88352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCC1)OC(=O)C23CC4CC(C2)CC(C4)(C3)Cl

Isomeric SMILES

C[C@H](C(=O)NC1CCCC1)OC(=O)C23C[C@@H]4C[C@@H](C2)CC(C4)(C3)Cl

InChI

InChI=1S/C19H28ClNO3/c1-12(16(22)21-15-4-2-3-5-15)24-17(23)18-7-13-6-14(8-18)10-19(20,9-13)11-18/h12-15H,2-11H2,1H3,(H,21,22)/t12-,13+,14+,18?,19?/m1/s1