2-azanylethanoic acid; 2-(3-chloranyl-4-oxidanyl-phenoxy)-N-(2-dodecylphenyl)ethanamide

Systemtic Name: 2-azanylethanoic acid; 2-(3-chloranyl-4-oxidanyl-phenoxy)-N-(2-dodecylphenyl)ethanamide Openeye Name: 2-aminoacetic acid; 2-(3-chloro-4-hydroxy-phenoxy)-N-(2-dodecylphenyl)acetamide CAS Name: 2-aminoacetic acid; 2-(3-chloro-4-hydroxyphenoxy)-N-(2-dodecylphenyl)acetamide IUPAC Name: 2-aminoacetic acid; 2-(3-chloro-4-hydroxyphenoxy)-N-(2-dodecylphenyl)acetamide Traditional Name: 2-aminoacetic acid; 2-(3-chloro-4-hydroxy-phenoxy)-N-(2-laurylphenyl)acetamide Formula: C28H41ClN2O5 MolecularWeight: 521.08854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1NC(=O)COC2=CC(=C(C=C2)O)Cl.C(C(=O)O)N

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1NC(=O)COC2=CC(=C(C=C2)O)Cl.C(C(=O)O)N

InChI

InChI=1S/C26H36ClNO3.C2H5NO2/c1-2-3-4-5-6-7-8-9-10-11-14-21-15-12-13-16-24(21)28-26(30)20-31-22-17-18-25(29)23(27)19-22;3-1-2(4)5/h12-13,15-19,29H,2-11,14,20H2,1H3,(H,28,30);1,3H2,(H,4,5)