1-(2-cyano-1,3-benzoxazol-5-yl)-2-[3-(quinolin-2-ylmethoxy)phenyl]ethanolate

Systemtic Name: 1-(2-cyano-1,3-benzoxazol-5-yl)-2-[3-(quinolin-2-ylmethoxy)phenyl]ethanolate Openeye Name: 1-(2-cyano-1,3-benzoxazol-5-yl)-2-[3-(2-quinolylmethoxy)phenyl]ethanolate CAS Name: 1-(2-cyano-1,3-benzoxazol-5-yl)-2-[3-(2-quinolinylmethoxy)phenyl]ethanolate IUPAC Name: 1-(2-cyano-1,3-benzoxazol-5-yl)-2-[3-(quinolin-2-ylmethoxy)phenyl]ethanolate Traditional Name: 1-(2-cyano-1,3-benzoxazol-5-yl)-2-[3-(2-quinolylmethoxy)phenyl]ethanolate Formula: C26H18N3O3- MolecularWeight: 420.43942

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)COC3=CC=CC(=C3)CC(C4=CC5=C(C=C4)OC(=N5)C#N)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)COC3=CC=CC(=C3)CC(C4=CC5=C(C=C4)OC(=N5)C#N)[O-]

InChI

InChI=1S/C26H18N3O3/c27-15-26-29-23-14-19(9-11-25(23)32-26)24(30)13-17-4-3-6-21(12-17)31-16-20-10-8-18-5-1-2-7-22(18)28-20/h1-12,14,24H,13,16H2/q-1