octadecyl 2-(2-aminocarbonylbutyl)-2,4,4-trimethyl-5-oxidanylidene-hexanoate

Systemtic Name: octadecyl 2-(2-aminocarbonylbutyl)-2,4,4-trimethyl-5-oxidanylidene-hexanoate Openeye Name: octadecyl 2-(2-carbamoylbutyl)-2,4,4-trimethyl-5-oxo-hexanoate CAS Name: 2-(2-carbamoylbutyl)-2,4,4-trimethyl-5-oxohexanoic acid octadecyl ester IUPAC Name: octadecyl 2-(2-carbamoylbutyl)-2,4,4-trimethyl-5-oxohexanoate Traditional Name: 2-(2-carbamoylbutyl)-5-keto-2,4,4-trimethyl-hexanoic acid stearyl ester Formula: C32H61NO4 MolecularWeight: 523.83104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C(C)(CC(CC)C(=O)N)CC(C)(C)C(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C(C)(CC(CC)C(=O)N)CC(C)(C)C(=O)C

InChI

InChI=1S/C32H61NO4/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-37-30(36)32(6,25-28(8-2)29(33)35)26-31(4,5)27(3)34/h28H,7-26H2,1-6H3,(H2,33,35)