2-azanyl-6-tert-butyl-4-(3-ethoxy-5-iodanyl-4-oxidanyl-phenyl)-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile

Systemtic Name: 2-azanyl-6-tert-butyl-4-(3-ethoxy-5-iodanyl-4-oxidanyl-phenyl)-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile Openeye Name: 2-amino-6-tert-butyl-4-(3-ethoxy-4-hydroxy-5-iodo-phenyl)-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile CAS Name: 2-amino-6-tert-butyl-4-(3-ethoxy-4-hydroxy-5-iodophenyl)-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile IUPAC Name: 2-amino-6-tert-butyl-4-(3-ethoxy-4-hydroxy-5-iodophenyl)-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile Traditional Name: 2-amino-6-tert-butyl-4-(3-ethoxy-4-hydroxy-5-iodo-phenyl)-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile Formula: C25H27IN4O2 MolecularWeight: 542.41195

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C2C3CC(CC=C3C(=C(C2(C#N)C#N)N)C#N)C(C)(C)C)I)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C2C3CC(CC=C3C(=C(C2(C#N)C#N)N)C#N)C(C)(C)C)I)O

InChI

InChI=1S/C25H27IN4O2/c1-5-32-20-9-14(8-19(26)22(20)31)21-17-10-15(24(2,3)4)6-7-16(17)18(11-27)23(30)25(21,12-28)13-29/h7-9,15,17,21,31H,5-6,10,30H2,1-4H3