3-(6,7-dimethoxy-1-oxidanylidene-isochromen-3-yl)propyl 4-cyanobenzoate

Systemtic Name: 3-(6,7-dimethoxy-1-oxidanylidene-isochromen-3-yl)propyl 4-cyanobenzoate Openeye Name: 3-(6,7-dimethoxy-1-oxo-isochromen-3-yl)propyl 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid 3-(6,7-dimethoxy-1-oxo-2-benzopyran-3-yl)propyl ester IUPAC Name: 3-(6,7-dimethoxy-1-oxoisochromen-3-yl)propyl 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid 3-(1-keto-6,7-dimethoxy-isochromen-3-yl)propyl ester Formula: C22H19NO6 MolecularWeight: 393.38936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=C(OC2=O)CCCOC(=O)C3=CC=C(C=C3)C#N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=C(OC2=O)CCCOC(=O)C3=CC=C(C=C3)C#N)OC

InChI

InChI=1S/C22H19NO6/c1-26-19-11-16-10-17(29-22(25)18(16)12-20(19)27-2)4-3-9-28-21(24)15-7-5-14(13-23)6-8-15/h5-8,10-12H,3-4,9H2,1-2H3