[2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] (5S,7S)-3-chloranyladamantane-1-carboxylate

Systemtic Name: [2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] (5S,7S)-3-chloranyladamantane-1-carboxylate Openeye Name: [2-(isobutylcarbamoylamino)-2-oxo-ethyl] (5S,7S)-3-chloroadamantane-1-carboxylate CAS Name: (5S,7S)-3-chloro-1-adamantanecarboxylic acid [2-[[(2-methylpropylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] (5S,7S)-3-chloroadamantane-1-carboxylate Traditional Name: (5S,7S)-3-chloroadamantane-1-carboxylic acid [2-(isobutylcarbamoylamino)-2-keto-ethyl] ester Formula: C18H27ClN2O4 MolecularWeight: 370.87098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NC(=O)COC(=O)C12CC3CC(C1)CC(C3)(C2)Cl

Isomeric SMILES

CC(C)CNC(=O)NC(=O)COC(=O)C12C[C@@H]3C[C@@H](C1)CC(C3)(C2)Cl

InChI

InChI=1S/C18H27ClN2O4/c1-11(2)8-20-16(24)21-14(22)9-25-15(23)17-4-12-3-13(5-17)7-18(19,6-12)10-17/h11-13H,3-10H2,1-2H3,(H2,20,21,22,24)/t12-,13-,17?,18?/m0/s1