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4-(4-benzo[e][1,3]benzoxazol-2-ylphenoxy)butanoic acid

4-(4-benzo[e][1,3]benzoxazol-2-ylphenoxy)butanoic acid

Systemtic Name:4-(4-benzo[e][1,3]benzoxazol-2-ylphenoxy)butanoic acid
Openeye Name:4-(4-benzo[e][1,3]benzoxazol-2-ylphenoxy)butanoic acid
CAS Name:4-[4-(2-benzo[e][1,3]benzoxazolyl)phenoxy]butanoic acid
IUPAC Name:4-(4-benzo[e][1,3]benzoxazol-2-ylphenoxy)butanoic acid
Traditional Name:4-(4-benzo[e][1,3]benzoxazol-2-ylphenoxy)butyric acid
Formula: C21H17NO4
MolecularWeight: 347.36398
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2N=C(O3)C4=CC=C(C=C4)OCCCC(=O)O


Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2N=C(O3)C4=CC=C(C=C4)OCCCC(=O)O


InChI

InChI=1S/C21H17NO4/c23-19(24)6-3-13-25-16-10-7-15(8-11-16)21-22-20-17-5-2-1-4-14(17)9-12-18(20)26-21/h1-2,4-5,7-12H,3,6,13H2,(H,23,24)


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