N-[(octadecylcarbamoylamino)methyl]-4-[4-(4-oxidanylphenoxy)phenoxy]benzamide

Systemtic Name: N-[(octadecylcarbamoylamino)methyl]-4-[4-(4-oxidanylphenoxy)phenoxy]benzamide Openeye Name: 4-[4-(4-hydroxyphenoxy)phenoxy]-N-[(octadecylcarbamoylamino)methyl]benzamide CAS Name: 4-[4-(4-hydroxyphenoxy)phenoxy]-N-[[[(octadecylamino)-oxomethyl]amino]methyl]benzamide IUPAC Name: 4-[4-(4-hydroxyphenoxy)phenoxy]-N-[(octadecylcarbamoylamino)methyl]benzamide Traditional Name: 4-[4-(4-hydroxyphenoxy)phenoxy]-N-[(stearylcarbamoylamino)methyl]benzamide Formula: C39H55N3O5 MolecularWeight: 645.8711

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)NCNC(=O)C1=CC=C(C=C1)OC2=CC=C(C=C2)OC3=CC=C(C=C3)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)NCNC(=O)C1=CC=C(C=C1)OC2=CC=C(C=C2)OC3=CC=C(C=C3)O

InChI

InChI=1S/C39H55N3O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-30-40-39(45)42-31-41-38(44)32-18-22-34(23-19-32)46-36-26-28-37(29-27-36)47-35-24-20-33(43)21-25-35/h18-29,43H,2-17,30-31H2,1H3,(H,41,44)(H2,40,42,45)