6-[[2-oxidanyl-5-(quinolin-2-ylmethoxy)phenyl]methoxy]-1,3-benzoxazole-2-carbonitrile

Systemtic Name: 6-[[2-oxidanyl-5-(quinolin-2-ylmethoxy)phenyl]methoxy]-1,3-benzoxazole-2-carbonitrile Openeye Name: 6-[[2-hydroxy-5-(2-quinolylmethoxy)phenyl]methoxy]-1,3-benzoxazole-2-carbonitrile CAS Name: 6-[[2-hydroxy-5-(2-quinolinylmethoxy)phenyl]methoxy]-1,3-benzoxazole-2-carbonitrile IUPAC Name: 6-[[2-hydroxy-5-(quinolin-2-ylmethoxy)phenyl]methoxy]-1,3-benzoxazole-2-carbonitrile Traditional Name: 6-[2-hydroxy-5-(2-quinolylmethoxy)benzyl]oxy-1,3-benzoxazole-2-carbonitrile Formula: C25H17N3O4 MolecularWeight: 423.42018

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)COC3=CC(=C(C=C3)O)COC4=CC5=C(C=C4)N=C(O5)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)COC3=CC(=C(C=C3)O)COC4=CC5=C(C=C4)N=C(O5)C#N

InChI

InChI=1S/C25H17N3O4/c26-13-25-28-22-9-7-20(12-24(22)32-25)30-14-17-11-19(8-10-23(17)29)31-15-18-6-5-16-3-1-2-4-21(16)27-18/h1-12,29H,14-15H2