2-azanyl-4-(3-ethoxy-5-iodanyl-4-propan-2-yloxy-phenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carbonitrile

Systemtic Name: 2-azanyl-4-(3-ethoxy-5-iodanyl-4-propan-2-yloxy-phenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carbonitrile Openeye Name: 2-amino-4-(3-ethoxy-5-iodo-4-isopropoxy-phenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile CAS Name: 2-amino-4-(3-ethoxy-5-iodo-4-propan-2-yloxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carbonitrile IUPAC Name: 2-amino-4-(3-ethoxy-5-iodo-4-propan-2-yloxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile Traditional Name: 2-amino-4-(3-ethoxy-5-iodo-4-isopropoxy-phenyl)-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromene-3-carbonitrile Formula: C23H27IN2O4 MolecularWeight: 522.37595

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N)I)OC(C)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N)I)OC(C)C

InChI

InChI=1S/C23H27IN2O4/c1-6-28-17-8-13(7-15(24)21(17)29-12(2)3)19-14(11-25)22(26)30-18-10-23(4,5)9-16(27)20(18)19/h7-8,12,19H,6,9-10,26H2,1-5H3