N-[4-(1,3-benzoxazol-3-ium-2-yl)-3-oxidanyl-phenyl]-2-(4-ethylphenoxy)ethanamide

Systemtic Name: N-[4-(1,3-benzoxazol-3-ium-2-yl)-3-oxidanyl-phenyl]-2-(4-ethylphenoxy)ethanamide Openeye Name: N-[4-(1,3-benzoxazol-3-ium-2-yl)-3-hydroxy-phenyl]-2-(4-ethylphenoxy)acetamide CAS Name: N-[4-(1,3-benzoxazol-3-ium-2-yl)-3-hydroxyphenyl]-2-(4-ethylphenoxy)acetamide IUPAC Name: N-[4-(1,3-benzoxazol-3-ium-2-yl)-3-hydroxyphenyl]-2-(4-ethylphenoxy)acetamide Traditional Name: N-[4-(1,3-benzoxazol-3-ium-2-yl)-3-hydroxy-phenyl]-2-(4-ethylphenoxy)acetamide Formula: C23H21N2O4+ MolecularWeight: 389.42384

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC(=O)NC2=CC(=C(C=C2)C3=[NH+]C4=CC=CC=C4O3)O

Isomeric SMILES

CCC1=CC=C(C=C1)OCC(=O)NC2=CC(=C(C=C2)C3=[NH+]C4=CC=CC=C4O3)O

InChI

InChI=1S/C23H20N2O4/c1-2-15-7-10-17(11-8-15)28-14-22(27)24-16-9-12-18(20(26)13-16)23-25-19-5-3-4-6-21(19)29-23/h3-13,26H,2,14H2,1H3,(H,24,27)/p+1