octanoic acid; (2S)-1-[2-[(3-oxidanyl-1-adamantyl)amino]ethanoyl]pyrrolidine-2-carbonitrile

Systemtic Name: octanoic acid; (2S)-1-[2-[(3-oxidanyl-1-adamantyl)amino]ethanoyl]pyrrolidine-2-carbonitrile Openeye Name: (2S)-1-[2-[(3-hydroxy-1-adamantyl)amino]acetyl]pyrrolidine-2-carbonitrile; octanoic acid CAS Name: (2S)-1-[2-[(3-hydroxy-1-adamantyl)amino]-1-oxoethyl]-2-pyrrolidinecarbonitrile; octanoic acid IUPAC Name: (2S)-1-[2-[(3-hydroxy-1-adamantyl)amino]acetyl]pyrrolidine-2-carbonitrile; octanoic acid Traditional Name: caprylic acid; (2S)-1-[2-[(3-hydroxy-1-adamantyl)amino]acetyl]pyrrolidine-2-carbonitrile Formula: C25H41N3O4 MolecularWeight: 447.61074

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)O.C1CC(N(C1)C(=O)CNC23CC4CC(C2)CC(C4)(C3)O)C#N

Isomeric SMILES

CCCCCCCC(=O)O.C1C[C@H](N(C1)C(=O)CNC23CC4CC(C2)CC(C4)(C3)O)C#N

InChI

InChI=1S/C17H25N3O2.C8H16O2/c18-9-14-2-1-3-20(14)15(21)10-19-16-5-12-4-13(6-16)8-17(22,7-12)11-16;1-2-3-4-5-6-7-8(9)10/h12-14,19,22H,1-8,10-11H2;2-7H2,1H3,(H,9,10)/t12?,13?,14-,16?,17?;/m0./s1