[2-[cyclohexyl(ethyl)amino]-2-oxidanylidene-ethyl] (5S,7S)-3-acetamidoadamantane-1-carboxylate

Systemtic Name: [2-[cyclohexyl(ethyl)amino]-2-oxidanylidene-ethyl] (5S,7S)-3-acetamidoadamantane-1-carboxylate Openeye Name: [2-[cyclohexyl(ethyl)amino]-2-oxo-ethyl] (5S,7S)-3-acetamidoadamantane-1-carboxylate CAS Name: (5S,7S)-3-acetamido-1-adamantanecarboxylic acid [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] (5S,7S)-3-acetamidoadamantane-1-carboxylate Traditional Name: (5S,7S)-3-acetamidoadamantane-1-carboxylic acid [2-[cyclohexyl(ethyl)amino]-2-keto-ethyl] ester Formula: C23H36N2O4 MolecularWeight: 404.54294

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCCCC1)C(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)NC(=O)C

Isomeric SMILES

CCN(C1CCCCC1)C(=O)COC(=O)C23C[C@@H]4C[C@@H](C2)CC(C4)(C3)NC(=O)C

InChI

InChI=1S/C23H36N2O4/c1-3-25(19-7-5-4-6-8-19)20(27)14-29-21(28)22-10-17-9-18(11-22)13-23(12-17,15-22)24-16(2)26/h17-19H,3-15H2,1-2H3,(H,24,26)/t17-,18-,22?,23?/m0/s1