2-methyl-3-(oxan-2-yloxy)-4-(4-oxidanylidene-3-phenylmethoxy-pyran-2-yl)benzenecarbonitrile

Systemtic Name: 2-methyl-3-(oxan-2-yloxy)-4-(4-oxidanylidene-3-phenylmethoxy-pyran-2-yl)benzenecarbonitrile Openeye Name: 4-(3-benzyloxy-4-oxo-pyran-2-yl)-2-methyl-3-tetrahydropyran-2-yloxy-benzonitrile CAS Name: 2-methyl-3-(2-oxanyloxy)-4-(4-oxo-3-phenylmethoxy-2-pyranyl)benzonitrile IUPAC Name: 2-methyl-3-(oxan-2-yloxy)-4-(4-oxo-3-phenylmethoxypyran-2-yl)benzonitrile Traditional Name: 4-(3-benzoxy-4-keto-pyran-2-yl)-2-methyl-3-tetrahydropyran-2-yloxy-benzonitrile Formula: C25H23NO5 MolecularWeight: 417.45382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1OC2CCCCO2)C3=C(C(=O)C=CO3)OCC4=CC=CC=C4)C#N

Isomeric SMILES

CC1=C(C=CC(=C1OC2CCCCO2)C3=C(C(=O)C=CO3)OCC4=CC=CC=C4)C#N

InChI

InChI=1S/C25H23NO5/c1-17-19(15-26)10-11-20(23(17)31-22-9-5-6-13-28-22)24-25(21(27)12-14-29-24)30-16-18-7-3-2-4-8-18/h2-4,7-8,10-12,14,22H,5-6,9,13,16H2,1H3