ethyl 3-[1-(6-cyano-2,2-dimethyl-chromen-4-yl)-2-oxidanylidene-pyridin-4-yl]propanoate

Systemtic Name: ethyl 3-[1-(6-cyano-2,2-dimethyl-chromen-4-yl)-2-oxidanylidene-pyridin-4-yl]propanoate Openeye Name: ethyl 3-[1-(6-cyano-2,2-dimethyl-chromen-4-yl)-2-oxo-4-pyridyl]propanoate CAS Name: 3-[1-(6-cyano-2,2-dimethyl-1-benzopyran-4-yl)-2-oxo-4-pyridinyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[1-(6-cyano-2,2-dimethylchromen-4-yl)-2-oxopyridin-4-yl]propanoate Traditional Name: 3-[1-(6-cyano-2,2-dimethyl-chromen-4-yl)-2-keto-4-pyridyl]propionic acid ethyl ester Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=CC(=O)N(C=C1)C2=CC(OC3=C2C=C(C=C3)C#N)(C)C

Isomeric SMILES

CCOC(=O)CCC1=CC(=O)N(C=C1)C2=CC(OC3=C2C=C(C=C3)C#N)(C)C

InChI

InChI=1S/C22H22N2O4/c1-4-27-21(26)8-6-15-9-10-24(20(25)12-15)18-13-22(2,3)28-19-7-5-16(14-23)11-17(18)19/h5,7,9-13H,4,6,8H2,1-3H3