butanoic acid; (2S)-1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide

Systemtic Name: butanoic acid; (2S)-1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide Openeye Name: (2S)-1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide; butyric acid CAS Name: butanoic acid; (2S)-1-butyl-N-(2,6-dimethylphenyl)-2-piperidinecarboxamide IUPAC Name: butanoic acid; (2S)-1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide Traditional Name: (2S)-1-butyl-N-(2,6-dimethylphenyl)pipecolinamide; butyric acid Formula: C22H36N2O3 MolecularWeight: 376.53284

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCCCC1C(=O)NC2=C(C=CC=C2C)C.CCCC(=O)O

Isomeric SMILES

CCCCN1CCCC[C@H]1C(=O)NC2=C(C=CC=C2C)C.CCCC(=O)O

InChI

InChI=1S/C18H28N2O.C4H8O2/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3;1-2-3-4(5)6/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21);2-3H2,1H3,(H,5,6)/t16-;/m0./s1