1-(4-hexyl-3-oxidanylidene-oxetan-2-yl)tridecan-2-yl 7-azanyl-7-oxidanylidene-heptanoate

Systemtic Name: 1-(4-hexyl-3-oxidanylidene-oxetan-2-yl)tridecan-2-yl 7-azanyl-7-oxidanylidene-heptanoate Openeye Name: 1-[(4-hexyl-3-oxo-oxetan-2-yl)methyl]dodecyl 7-amino-7-oxo-heptanoate CAS Name: 7-amino-7-oxoheptanoic acid 1-(4-hexyl-3-oxo-2-oxetanyl)tridecan-2-yl ester IUPAC Name: 1-(4-hexyl-3-oxooxetan-2-yl)tridecan-2-yl 7-amino-7-oxoheptanoate Traditional Name: 7-amino-7-keto-enanthic acid 1-[(4-hexyl-3-keto-oxetan-2-yl)methyl]dodecyl ester Formula: C29H53NO5 MolecularWeight: 495.73482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CC1C(=O)C(O1)CCCCCC)OC(=O)CCCCCC(=O)N

Isomeric SMILES

CCCCCCCCCCCC(CC1C(=O)C(O1)CCCCCC)OC(=O)CCCCCC(=O)N

InChI

InChI=1S/C29H53NO5/c1-3-5-7-9-10-11-12-13-15-19-24(34-28(32)22-18-14-17-21-27(30)31)23-26-29(33)25(35-26)20-16-8-6-4-2/h24-26H,3-23H2,1-2H3,(H2,30,31)