3-(4-azanylphenoxy)-5-[4-(hexadecylamino)phenoxy]benzoic acid

Systemtic Name: 3-(4-azanylphenoxy)-5-[4-(hexadecylamino)phenoxy]benzoic acid Openeye Name: 3-(4-aminophenoxy)-5-[4-(hexadecylamino)phenoxy]benzoic acid CAS Name: 3-(4-aminophenoxy)-5-[4-(hexadecylamino)phenoxy]benzoic acid IUPAC Name: 3-(4-aminophenoxy)-5-[4-(hexadecylamino)phenoxy]benzoic acid Traditional Name: 3-(4-aminophenoxy)-5-[4-(cetylamino)phenoxy]benzoic acid Formula: C35H48N2O4 MolecularWeight: 560.76662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)OC2=CC(=CC(=C2)OC3=CC=C(C=C3)N)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)OC2=CC(=CC(=C2)OC3=CC=C(C=C3)N)C(=O)O

InChI

InChI=1S/C35H48N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24-37-30-18-22-32(23-19-30)41-34-26-28(35(38)39)25-33(27-34)40-31-20-16-29(36)17-21-31/h16-23,25-27,37H,2-15,24,36H2,1H3,(H,38,39)