hexadecyl 4-[(6-aminocarbonyl-5-oxidanyl-naphthalen-1-yl)-methyl-carbamoyl]oxybenzoate

Systemtic Name: hexadecyl 4-[(6-aminocarbonyl-5-oxidanyl-naphthalen-1-yl)-methyl-carbamoyl]oxybenzoate Openeye Name: hexadecyl 4-[(6-carbamoyl-5-hydroxy-1-naphthyl)-methyl-carbamoyl]oxybenzoate CAS Name: 4-[[(6-carbamoyl-5-hydroxy-1-naphthalenyl)-methylamino]-oxomethoxy]benzoic acid hexadecyl ester IUPAC Name: hexadecyl 4-[(6-carbamoyl-5-hydroxynaphthalen-1-yl)-methylcarbamoyl]oxybenzoate Traditional Name: 4-[(6-carbamoyl-5-hydroxy-1-naphthyl)-methyl-carbamoyl]oxybenzoic acid cetyl ester Formula: C36H48N2O6 MolecularWeight: 604.77612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C1=CC=C(C=C1)OC(=O)N(C)C2=CC=CC3=C2C=CC(=C3O)C(=O)N

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C1=CC=C(C=C1)OC(=O)N(C)C2=CC=CC3=C2C=CC(=C3O)C(=O)N

InChI

InChI=1S/C36H48N2O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-26-43-35(41)27-20-22-28(23-21-27)44-36(42)38(2)32-19-17-18-30-29(32)24-25-31(33(30)39)34(37)40/h17-25,39H,3-16,26H2,1-2H3,(H2,37,40)