2-[2-(3,4-diethylphenyl)-1,3-benzoxazol-5-yl]propanoic acid

Systemtic Name: 2-[2-(3,4-diethylphenyl)-1,3-benzoxazol-5-yl]propanoic acid Openeye Name: 2-[2-(3,4-diethylphenyl)-1,3-benzoxazol-5-yl]propanoic acid CAS Name: 2-[2-(3,4-diethylphenyl)-1,3-benzoxazol-5-yl]propanoic acid IUPAC Name: 2-[2-(3,4-diethylphenyl)-1,3-benzoxazol-5-yl]propanoic acid Traditional Name: 2-[2-(3,4-diethylphenyl)-1,3-benzoxazol-5-yl]propionic acid Formula: C20H21NO3 MolecularWeight: 323.38564

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)C(C)C(=O)O)CC

Isomeric SMILES

CCC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)C(C)C(=O)O)CC

InChI

InChI=1S/C20H21NO3/c1-4-13-6-7-16(10-14(13)5-2)19-21-17-11-15(12(3)20(22)23)8-9-18(17)24-19/h6-12H,4-5H2,1-3H3,(H,22,23)