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

Systemtic Name: 2-[4-(2-azanyl-3-cyano-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromen-4-yl)-2-ethoxy-phenoxy]-N-(4-methoxyphenyl)ethanamide Openeye Name: 2-[4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl)-2-ethoxy-phenoxy]-N-(4-methoxyphenyl)acetamide CAS Name: 2-[4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-4-yl)-2-ethoxyphenoxy]-N-(4-methoxyphenyl)acetamide IUPAC Name: 2-[4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl)-2-ethoxyphenoxy]-N-(4-methoxyphenyl)acetamide Traditional Name: 2-[4-(2-amino-3-cyano-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromen-4-yl)-2-ethoxy-phenoxy]-N-(4-methoxyphenyl)acetamide Formula: C29H31N3O6 MolecularWeight: 517.57294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N)OCC(=O)NC4=CC=C(C=C4)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N)OCC(=O)NC4=CC=C(C=C4)OC

InChI

InChI=1S/C29H31N3O6/c1-5-36-23-12-17(6-11-22(23)37-16-25(34)32-18-7-9-19(35-4)10-8-18)26-20(15-30)28(31)38-24-14-29(2,3)13-21(33)27(24)26/h6-12,26H,5,13-14,16,31H2,1-4H3,(H,32,34)