4-(3-hexoxy-5-oxidanylidene-2H-pyrrol-1-yl)-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile

Systemtic Name: 4-(3-hexoxy-5-oxidanylidene-2H-pyrrol-1-yl)-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile Openeye Name: 4-(3-hexoxy-5-oxo-2H-pyrrol-1-yl)-3-hydroxy-2,2-dimethyl-chromane-6-carbonitrile CAS Name: 4-(3-hexoxy-5-oxo-2H-pyrrol-1-yl)-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: 4-(3-hexoxy-5-oxo-2H-pyrrol-1-yl)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile Traditional Name: 4-(4-hexoxy-2-keto-3-pyrrolin-1-yl)-3-hydroxy-2,2-dimethyl-chroman-6-carbonitrile Formula: C22H28N2O4 MolecularWeight: 384.46872

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC(=O)N(C1)C2C(C(OC3=C2C=C(C=C3)C#N)(C)C)O

Isomeric SMILES

CCCCCCOC1=CC(=O)N(C1)C2C(C(OC3=C2C=C(C=C3)C#N)(C)C)O

InChI

InChI=1S/C22H28N2O4/c1-4-5-6-7-10-27-16-12-19(25)24(14-16)20-17-11-15(13-23)8-9-18(17)28-22(2,3)21(20)26/h8-9,11-12,20-21,26H,4-7,10,14H2,1-3H3