2-[4-(1,3-benzoxazol-2-yl)-2-methoxy-phenyl]butanenitrile

Systemtic Name: 2-[4-(1,3-benzoxazol-2-yl)-2-methoxy-phenyl]butanenitrile Openeye Name: 2-[4-(1,3-benzoxazol-2-yl)-2-methoxy-phenyl]butanenitrile CAS Name: 2-[4-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]butanenitrile IUPAC Name: 2-[4-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]butanenitrile Traditional Name: 2-[4-(1,3-benzoxazol-2-yl)-2-methoxy-phenyl]butyronitrile Formula: C18H16N2O2 MolecularWeight: 292.33184

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C#N)C1=C(C=C(C=C1)C2=NC3=CC=CC=C3O2)OC

Isomeric SMILES

CCC(C#N)C1=C(C=C(C=C1)C2=NC3=CC=CC=C3O2)OC

InChI

InChI=1S/C18H16N2O2/c1-3-12(11-19)14-9-8-13(10-17(14)21-2)18-20-15-6-4-5-7-16(15)22-18/h4-10,12H,3H2,1-2H3