2-azanyl-4-[3-[(3-chloranyl-4-fluoranyl-phenoxy)methyl]-4-methoxy-phenyl]-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carbonitrile

Systemtic Name: 2-azanyl-4-[3-[(3-chloranyl-4-fluoranyl-phenoxy)methyl]-4-methoxy-phenyl]-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carbonitrile Openeye Name: 2-amino-4-[3-[(3-chloro-4-fluoro-phenoxy)methyl]-4-methoxy-phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile CAS Name: 2-amino-4-[3-[(3-chloro-4-fluorophenoxy)methyl]-4-methoxyphenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carbonitrile IUPAC Name: 2-amino-4-[3-[(3-chloro-4-fluorophenoxy)methyl]-4-methoxyphenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile Traditional Name: 2-amino-4-[3-[(3-chloro-4-fluoro-phenoxy)methyl]-4-methoxy-phenyl]-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromene-3-carbonitrile Formula: C26H24ClFN2O4 MolecularWeight: 482.931163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CC(=C(C=C3)OC)COC4=CC(=C(C=C4)F)Cl)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CC(=C(C=C3)OC)COC4=CC(=C(C=C4)F)Cl)C(=O)C1)C

InChI

InChI=1S/C26H24ClFN2O4/c1-26(2)10-20(31)24-22(11-26)34-25(30)17(12-29)23(24)14-4-7-21(32-3)15(8-14)13-33-16-5-6-19(28)18(27)9-16/h4-9,23H,10-11,13,30H2,1-3H3