2-[4-[(4S)-2-azanyl-3-cyano-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromen-4-yl]-5-chloranyl-2-ethoxy-phenoxy]ethanamide

Systemtic Name: 2-[4-[(4S)-2-azanyl-3-cyano-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromen-4-yl]-5-chloranyl-2-ethoxy-phenoxy]ethanamide Openeye Name: 2-[4-[(4S)-2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl]-5-chloro-2-ethoxy-phenoxy]acetamide CAS Name: 2-[4-[(4S)-2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-4-yl]-5-chloro-2-ethoxyphenoxy]acetamide IUPAC Name: 2-[4-[(4S)-2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl]-5-chloro-2-ethoxyphenoxy]acetamide Traditional Name: 2-[4-[(4S)-2-amino-3-cyano-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromen-4-yl]-5-chloro-2-ethoxy-phenoxy]acetamide Formula: C22H24ClN3O5 MolecularWeight: 445.89606

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N)Cl)OCC(=O)N

Isomeric SMILES

CCOC1=C(C=C(C(=C1)[C@H]2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N)Cl)OCC(=O)N

InChI

InChI=1S/C22H24ClN3O5/c1-4-29-15-5-11(13(23)6-16(15)30-10-18(25)28)19-12(9-24)21(26)31-17-8-22(2,3)7-14(27)20(17)19/h5-6,19H,4,7-8,10,26H2,1-3H3,(H2,25,28)/t19-/m0/s1