2-[[2-(3,4-dimethoxyphenyl)-6,7-dimethyl-4-oxidanylidene-chromen-3-yl]oxymethyl]benzenecarbonitrile

Systemtic Name: 2-[[2-(3,4-dimethoxyphenyl)-6,7-dimethyl-4-oxidanylidene-chromen-3-yl]oxymethyl]benzenecarbonitrile Openeye Name: 2-[[2-(3,4-dimethoxyphenyl)-6,7-dimethyl-4-oxo-chromen-3-yl]oxymethyl]benzonitrile CAS Name: 2-[[2-(3,4-dimethoxyphenyl)-6,7-dimethyl-4-oxo-1-benzopyran-3-yl]oxymethyl]benzonitrile IUPAC Name: 2-[[2-(3,4-dimethoxyphenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxymethyl]benzonitrile Traditional Name: 2-[[2-(3,4-dimethoxyphenyl)-4-keto-6,7-dimethyl-chromen-3-yl]oxymethyl]benzonitrile Formula: C27H23NO5 MolecularWeight: 441.47522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=O)C(=C(O2)C3=CC(=C(C=C3)OC)OC)OCC4=CC=CC=C4C#N)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=O)C(=C(O2)C3=CC(=C(C=C3)OC)OC)OCC4=CC=CC=C4C#N)C

InChI

InChI=1S/C27H23NO5/c1-16-11-21-23(12-17(16)2)33-26(18-9-10-22(30-3)24(13-18)31-4)27(25(21)29)32-15-20-8-6-5-7-19(20)14-28/h5-13H,15H2,1-4H3