5-[4,4-dimethyl-1,3-bis(oxidanylidene)-1-phenylazanyl-pentan-2-yl]oxy-2-octadecoxycarbonyl-benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[4,4-dimethyl-1,3-bis(oxidanylidene)-1-phenylazanyl-pentan-2-yl]oxy-2-octadecoxycarbonyl-benzene-1,3-dicarboxylic acid Openeye Name: 5-[3,3-dimethyl-2-oxo-1-(phenylcarbamoyl)butoxy]-2-octadecoxycarbonyl-benzene-1,3-dicarboxylic acid CAS Name: 5-(1-anilino-4,4-dimethyl-1,3-dioxopentan-2-yl)oxy-2-[octadecoxy(oxo)methyl]benzene-1,3-dicarboxylic acid IUPAC Name: 5-(1-anilino-4,4-dimethyl-1,3-dioxopentan-2-yl)oxy-2-octadecoxycarbonylbenzene-1,3-dicarboxylic acid Traditional Name: 5-[2-keto-3,3-dimethyl-1-(phenylcarbamoyl)butoxy]-2-stearyloxycarbonyl-isophthalic acid Formula: C40H57NO9 MolecularWeight: 695.88188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C1=C(C=C(C=C1C(=O)O)OC(C(=O)C(C)(C)C)C(=O)NC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C1=C(C=C(C=C1C(=O)O)OC(C(=O)C(C)(C)C)C(=O)NC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C40H57NO9/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26-49-39(48)33-31(37(44)45)27-30(28-32(33)38(46)47)50-34(35(42)40(2,3)4)36(43)41-29-24-21-20-22-25-29/h20-22,24-25,27-28,34H,5-19,23,26H2,1-4H3,(H,41,43)(H,44,45)(H,46,47)