4-azanylbutyl N-octylcarbamate; 4-(octylcarbamoyloxy)butylcarbamic acid

Systemtic Name: 4-azanylbutyl N-octylcarbamate; 4-(octylcarbamoyloxy)butylcarbamic acid Openeye Name: 4-aminobutyl N-octylcarbamate; 4-(octylcarbamoyloxy)butylcarbamic acid CAS Name: 4-[(octylamino)-oxomethoxy]butylcarbamic acid; N-octylcarbamic acid 4-aminobutyl ester IUPAC Name: 4-aminobutyl N-octylcarbamate; 4-(octylcarbamoyloxy)butylcarbamic acid Traditional Name: N-octylcarbamic acid 4-aminobutyl ester; 4-(octylcarbamoyloxy)butylcarbamic acid Formula: C27H56N4O6 MolecularWeight: 532.75674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)OCCCCN.CCCCCCCCNC(=O)OCCCCNC(=O)O

Isomeric SMILES

CCCCCCCCNC(=O)OCCCCN.CCCCCCCCNC(=O)OCCCCNC(=O)O

InChI

InChI=1S/C14H28N2O4.C13H28N2O2/c1-2-3-4-5-6-7-11-16-14(19)20-12-9-8-10-15-13(17)18;1-2-3-4-5-6-8-11-15-13(16)17-12-9-7-10-14/h15H,2-12H2,1H3,(H,16,19)(H,17,18);2-12,14H2,1H3,(H,15,16)