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

Systemtic Name: octadecanoic 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; stearic acid CAS Name: (2S)-1-[2-[(3-hydroxy-1-adamantyl)amino]-1-oxoethyl]-2-pyrrolidinecarbonitrile; octadecanoic acid IUPAC Name: (2S)-1-[2-[(3-hydroxy-1-adamantyl)amino]acetyl]pyrrolidine-2-carbonitrile; octadecanoic acid Traditional Name: (2S)-1-[2-[(3-hydroxy-1-adamantyl)amino]acetyl]pyrrolidine-2-carbonitrile; stearic acid Formula: C35H61N3O4 MolecularWeight: 587.87654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H36O2.C17H25N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;18-9-14-2-1-3-20(14)15(21)10-19-16-5-12-4-13(6-16)8-17(22,7-12)11-16/h2-17H2,1H3,(H,19,20);12-14,19,22H,1-8,10-11H2/t;12?,13?,14-,16?,17?/m.0/s1