octanamide; 2-[2-oxidanyl-3-(propan-2-ylamino)propoxy]benzenecarbonitrile

Systemtic Name: octanamide; 2-[2-oxidanyl-3-(propan-2-ylamino)propoxy]benzenecarbonitrile Openeye Name: 2-[2-hydroxy-3-(isopropylamino)propoxy]benzonitrile; octanamide CAS Name: 2-[2-hydroxy-3-(propan-2-ylamino)propoxy]benzonitrile; octanamide IUPAC Name: 2-[2-hydroxy-3-(propan-2-ylamino)propoxy]benzonitrile; octanamide Traditional Name: caprylamide; 2-[2-hydroxy-3-(isopropylamino)propoxy]benzonitrile Formula: C21H35N3O3 MolecularWeight: 377.5209

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N.CC(C)NCC(COC1=CC=CC=C1C#N)O

Isomeric SMILES

CCCCCCCC(=O)N.CC(C)NCC(COC1=CC=CC=C1C#N)O

InChI

InChI=1S/C13H18N2O2.C8H17NO/c1-10(2)15-8-12(16)9-17-13-6-4-3-5-11(13)7-14;1-2-3-4-5-6-7-8(9)10/h3-6,10,12,15-16H,8-9H2,1-2H3;2-7H2,1H3,(H2,9,10)