3-[6-(phenethylamino)-1,3-benzoxazol-2-yl]benzoic acid

Systemtic Name: 3-[6-(phenethylamino)-1,3-benzoxazol-2-yl]benzoic acid Openeye Name: 3-[6-(phenethylamino)-1,3-benzoxazol-2-yl]benzoic acid CAS Name: 3-[6-(phenethylamino)-1,3-benzoxazol-2-yl]benzoic acid IUPAC Name: 3-[6-(phenethylamino)-1,3-benzoxazol-2-yl]benzoic acid Traditional Name: 3-[6-(phenethylamino)-1,3-benzoxazol-2-yl]benzoic acid Formula: C22H18N2O3 MolecularWeight: 358.38992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=CC3=C(C=C2)N=C(O3)C4=CC(=CC=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=CC3=C(C=C2)N=C(O3)C4=CC(=CC=C4)C(=O)O

InChI

InChI=1S/C22H18N2O3/c25-22(26)17-8-4-7-16(13-17)21-24-19-10-9-18(14-20(19)27-21)23-12-11-15-5-2-1-3-6-15/h1-10,13-14,23H,11-12H2,(H,25,26)