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

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] (5S,7S)-3-oxidanyladamantane-1-carboxylate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] (5S,7S)-3-hydroxyadamantane-1-carboxylate CAS Name: (5S,7S)-3-hydroxy-1-adamantanecarboxylic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (5S,7S)-3-hydroxyadamantane-1-carboxylate Traditional Name: (5S,7S)-3-hydroxyadamantane-1-carboxylic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C19H26N2O4 MolecularWeight: 346.42074

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C#N)NC(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)O

Isomeric SMILES

C1CCC(C1)(C#N)NC(=O)COC(=O)C23C[C@@H]4C[C@@H](C2)CC(C4)(C3)O

InChI

InChI=1S/C19H26N2O4/c20-12-18(3-1-2-4-18)21-15(22)10-25-16(23)17-6-13-5-14(7-17)9-19(24,8-13)11-17/h13-14,24H,1-11H2,(H,21,22)/t13-,14-,17?,19?/m0/s1