2-pentyl-3-[[[(E)-(phenylmethylidene)carbamoyl]amino]methyl]octanamide

Systemtic Name: 2-pentyl-3-[[[(E)-(phenylmethylidene)carbamoyl]amino]methyl]octanamide Openeye Name: 3-[[[(E)-benzylidenecarbamoyl]amino]methyl]-2-pentyl-octanamide CAS Name: 3-[[[oxo-[(E)-(phenylmethylene)amino]methyl]amino]methyl]-2-pentyloctanamide IUPAC Name: 3-[[[(E)-benzylidenecarbamoyl]amino]methyl]-2-pentyloctanamide Traditional Name: 2-amyl-3-[[[(E)-benzalcarbamoyl]amino]methyl]caprylamide Formula: C22H35N3O2 MolecularWeight: 373.5322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CNC(=O)N=CC1=CC=CC=C1)C(CCCCC)C(=O)N

Isomeric SMILES

CCCCCC(CNC(=O)/N=C/C1=CC=CC=C1)C(CCCCC)C(=O)N

InChI

InChI=1S/C22H35N3O2/c1-3-5-8-14-19(20(21(23)26)15-9-6-4-2)17-25-22(27)24-16-18-12-10-7-11-13-18/h7,10-13,16,19-20H,3-6,8-9,14-15,17H2,1-2H3,(H2,23,26)(H,25,27)/b24-16+