2,2-bis(methoxymethyl)-3-oxidanyl-4-(1-oxidanylideneisoquinolin-2-yl)-3,4-dihydrochromene-6-carbonitrile

Systemtic Name: 2,2-bis(methoxymethyl)-3-oxidanyl-4-(1-oxidanylideneisoquinolin-2-yl)-3,4-dihydrochromene-6-carbonitrile Openeye Name: 3-hydroxy-2,2-bis(methoxymethyl)-4-(1-oxo-2-isoquinolyl)chromane-6-carbonitrile CAS Name: 3-hydroxy-2,2-bis(methoxymethyl)-4-(1-oxo-2-isoquinolinyl)-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: 3-hydroxy-2,2-bis(methoxymethyl)-4-(1-oxoisoquinolin-2-yl)-3,4-dihydrochromene-6-carbonitrile Traditional Name: 3-hydroxy-4-(1-keto-2-isoquinolyl)-2,2-bis(methoxymethyl)chroman-6-carbonitrile Formula: C23H22N2O5 MolecularWeight: 406.43118

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Descriptors Computed from Structure

Canonical SMILES:

COCC1(C(C(C2=C(O1)C=CC(=C2)C#N)N3C=CC4=CC=CC=C4C3=O)O)COC

Isomeric SMILES

COCC1(C(C(C2=C(O1)C=CC(=C2)C#N)N3C=CC4=CC=CC=C4C3=O)O)COC

InChI

InChI=1S/C23H22N2O5/c1-28-13-23(14-29-2)21(26)20(18-11-15(12-24)7-8-19(18)30-23)25-10-9-16-5-3-4-6-17(16)22(25)27/h3-11,20-21,26H,13-14H2,1-2H3