[2-(tert-butylamino)-1-phenyl-pentyl] 3,4-bis(3-methylbutanoyloxy)octadecanoate

Systemtic Name: [2-(tert-butylamino)-1-phenyl-pentyl] 3,4-bis(3-methylbutanoyloxy)octadecanoate Openeye Name: [2-(tert-butylamino)-1-phenyl-pentyl] 3,4-bis(3-methylbutanoyloxy)octadecanoate CAS Name: 3,4-bis(3-methyl-1-oxobutoxy)octadecanoic acid [2-(tert-butylamino)-1-phenylpentyl] ester IUPAC Name: [2-(tert-butylamino)-1-phenylpentyl] 3,4-bis(3-methylbutanoyloxy)octadecanoate Traditional Name: 3,4-diisovaleryloxystearic acid [2-(tert-butylamino)-1-phenyl-pentyl] ester Formula: C43H75NO6 MolecularWeight: 702.0587

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(C(CC(=O)OC(C1=CC=CC=C1)C(CCC)NC(C)(C)C)OC(=O)CC(C)C)OC(=O)CC(C)C

Isomeric SMILES

CCCCCCCCCCCCCCC(C(CC(=O)OC(C1=CC=CC=C1)C(CCC)NC(C)(C)C)OC(=O)CC(C)C)OC(=O)CC(C)C

InChI

InChI=1S/C43H75NO6/c1-10-12-13-14-15-16-17-18-19-20-21-25-29-37(48-39(45)30-33(3)4)38(49-40(46)31-34(5)6)32-41(47)50-42(35-27-23-22-24-28-35)36(26-11-2)44-43(7,8)9/h22-24,27-28,33-34,36-38,42,44H,10-21,25-26,29-32H2,1-9H3