2-azanyl-4-[3-ethoxy-4-[(2-fluorophenyl)methoxy]-5-iodanyl-phenyl]-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile

Systemtic Name: 2-azanyl-4-[3-ethoxy-4-[(2-fluorophenyl)methoxy]-5-iodanyl-phenyl]-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile Openeye Name: 2-amino-4-[3-ethoxy-4-[(2-fluorophenyl)methoxy]-5-iodo-phenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile CAS Name: 2-amino-4-[3-ethoxy-4-[(2-fluorophenyl)methoxy]-5-iodophenyl]-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile IUPAC Name: 2-amino-4-[3-ethoxy-4-[(2-fluorophenyl)methoxy]-5-iodophenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile Traditional Name: 2-amino-4-[3-ethoxy-4-(2-fluorobenzyl)oxy-5-iodo-phenyl]-5-keto-4,6,7,8-tetrahydrochromene-3-carbonitrile Formula: C25H22FIN2O4 MolecularWeight: 560.356053

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C2C(=C(OC3=C2C(=O)CCC3)N)C#N)I)OCC4=CC=CC=C4F

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C2C(=C(OC3=C2C(=O)CCC3)N)C#N)I)OCC4=CC=CC=C4F

InChI

InChI=1S/C25H22FIN2O4/c1-2-31-21-11-15(10-18(27)24(21)32-13-14-6-3-4-7-17(14)26)22-16(12-28)25(29)33-20-9-5-8-19(30)23(20)22/h3-4,6-7,10-11,22H,2,5,8-9,13,29H2,1H3