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

Systemtic Name: 2-azanyl-6-tert-butyl-4-[4-(cyanomethoxy)-3-ethoxy-5-iodanyl-phenyl]-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile Openeye Name: 2-amino-6-tert-butyl-4-[4-(cyanomethoxy)-3-ethoxy-5-iodo-phenyl]-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile CAS Name: 2-amino-6-tert-butyl-4-[4-(cyanomethoxy)-3-ethoxy-5-iodophenyl]-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile IUPAC Name: 2-amino-6-tert-butyl-4-[4-(cyanomethoxy)-3-ethoxy-5-iodophenyl]-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile Traditional Name: 2-amino-6-tert-butyl-4-[4-(cyanomethoxy)-3-ethoxy-5-iodo-phenyl]-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile Formula: C27H28IN5O2 MolecularWeight: 581.44799

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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)OCC#N

Isomeric SMILES

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

InChI

InChI=1S/C27H28IN5O2/c1-5-34-22-11-16(10-21(28)24(22)35-9-8-29)23-19-12-17(26(2,3)4)6-7-18(19)20(13-30)25(33)27(23,14-31)15-32/h7,10-11,17,19,23H,5-6,9,12,33H2,1-4H3