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

Systemtic Name: 2-azanyl-4-[3-ethoxy-5-iodanyl-4-[(4-methylphenyl)methoxy]phenyl]-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile Openeye Name: 2-amino-4-[3-ethoxy-5-iodo-4-(p-tolylmethoxy)phenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile CAS Name: 2-amino-4-[3-ethoxy-5-iodo-4-[(4-methylphenyl)methoxy]phenyl]-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile IUPAC Name: 2-amino-4-[3-ethoxy-5-iodo-4-[(4-methylphenyl)methoxy]phenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile Traditional Name: 2-amino-4-[3-ethoxy-5-iodo-4-(4-methylbenzyl)oxy-phenyl]-5-keto-4,6,7,8-tetrahydrochromene-3-carbonitrile Formula: C26H25IN2O4 MolecularWeight: 556.39217

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C2C(=C(OC3=C2C(=O)CCC3)N)C#N)I)OCC4=CC=C(C=C4)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C2C(=C(OC3=C2C(=O)CCC3)N)C#N)I)OCC4=CC=C(C=C4)C

InChI

InChI=1S/C26H25IN2O4/c1-3-31-22-12-17(11-19(27)25(22)32-14-16-9-7-15(2)8-10-16)23-18(13-28)26(29)33-21-6-4-5-20(30)24(21)23/h7-12,23H,3-6,14,29H2,1-2H3