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

Systemtic Name: 2-[2-(2-azanyl-3-cyano-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromen-4-yl)-4-chloranyl-phenoxy]-N-(phenylmethyl)ethanamide Openeye Name: 2-[2-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl)-4-chloro-phenoxy]-N-benzyl-acetamide CAS Name: 2-[2-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-4-yl)-4-chlorophenoxy]-N-(phenylmethyl)acetamide IUPAC Name: 2-[2-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl)-4-chlorophenoxy]-N-benzylacetamide Traditional Name: 2-[2-(2-amino-3-cyano-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromen-4-yl)-4-chloro-phenoxy]-N-benzyl-acetamide Formula: C27H26ClN3O4 MolecularWeight: 491.96604

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(O2)N)C#N)C3=C(C=CC(=C3)Cl)OCC(=O)NCC4=CC=CC=C4)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(=C(O2)N)C#N)C3=C(C=CC(=C3)Cl)OCC(=O)NCC4=CC=CC=C4)C(=O)C1)C

InChI

InChI=1S/C27H26ClN3O4/c1-27(2)11-20(32)25-22(12-27)35-26(30)19(13-29)24(25)18-10-17(28)8-9-21(18)34-15-23(33)31-14-16-6-4-3-5-7-16/h3-10,24H,11-12,14-15,30H2,1-2H3,(H,31,33)