(2-azanyl-3-butanoyloxy-heptacosyl) butanoate

Systemtic Name: (2-azanyl-3-butanoyloxy-heptacosyl) butanoate Openeye Name: (2-amino-3-butanoyloxy-heptacosyl) butanoate CAS Name: butanoic acid [2-amino-3-(1-oxobutoxy)heptacosyl] ester IUPAC Name: (2-amino-3-butanoyloxyheptacosyl) butanoate Traditional Name: butyric acid (2-amino-3-butyryloxy-heptacosyl) ester Formula: C35H69NO4 MolecularWeight: 567.92666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCC(C(COC(=O)CCC)N)OC(=O)CCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCC(C(COC(=O)CCC)N)OC(=O)CCC

InChI

InChI=1S/C35H69NO4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-30-33(40-35(38)29-6-3)32(36)31-39-34(37)28-5-2/h32-33H,4-31,36H2,1-3H3