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

Systemtic Name: 2,2-bis(methoxymethyl)-3-oxidanyl-4-(3-oxidanylideneisoquinolin-2-yl)-3,4-dihydrochromene-6-carbonitrile Openeye Name: 3-hydroxy-2,2-bis(methoxymethyl)-4-(3-oxo-2-isoquinolyl)chromane-6-carbonitrile CAS Name: 3-hydroxy-2,2-bis(methoxymethyl)-4-(3-oxo-2-isoquinolinyl)-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: 3-hydroxy-2,2-bis(methoxymethyl)-4-(3-oxoisoquinolin-2-yl)-3,4-dihydrochromene-6-carbonitrile Traditional Name: 3-hydroxy-4-(3-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=C4C=CC=CC4=CC3=O)O)COC

Isomeric SMILES

COCC1(C(C(C2=C(O1)C=CC(=C2)C#N)N3C=C4C=CC=CC4=CC3=O)O)COC

InChI

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