ethyl 2-[2-(2-azanyl-3-cyano-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromen-4-yl)phenoxy]ethanoate

Systemtic Name: ethyl 2-[2-(2-azanyl-3-cyano-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromen-4-yl)phenoxy]ethanoate Openeye Name: ethyl 2-[2-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl)phenoxy]acetate CAS Name: 2-[2-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-4-yl)phenoxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl)phenoxy]acetate Traditional Name: 2-[2-(2-amino-3-cyano-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromen-4-yl)phenoxy]acetic acid ethyl ester Formula: C22H24N2O5 MolecularWeight: 396.43636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=CC=CC=C1C2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N

Isomeric SMILES

CCOC(=O)COC1=CC=CC=C1C2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N

InChI

InChI=1S/C22H24N2O5/c1-4-27-18(26)12-28-16-8-6-5-7-13(16)19-14(11-23)21(24)29-17-10-22(2,3)9-15(25)20(17)19/h5-8,19H,4,9-10,12,24H2,1-3H3