4-[[2,2-bis(methoxymethyl)-3-oxidanyl-4H-chromen-3-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[2,2-bis(methoxymethyl)-3-oxidanyl-4H-chromen-3-yl]amino]benzenecarbonitrile Openeye Name: 4-[[3-hydroxy-2,2-bis(methoxymethyl)chroman-3-yl]amino]benzonitrile CAS Name: 4-[[3-hydroxy-2,2-bis(methoxymethyl)-3,4-dihydro-2H-1-benzopyran-3-yl]amino]benzonitrile IUPAC Name: 4-[[3-hydroxy-2,2-bis(methoxymethyl)-4H-chromen-3-yl]amino]benzonitrile Traditional Name: 4-[[3-hydroxy-2,2-bis(methoxymethyl)chroman-3-yl]amino]benzonitrile Formula: C20H22N2O4 MolecularWeight: 354.39968

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Descriptors Computed from Structure

Canonical SMILES:

COCC1(C(CC2=CC=CC=C2O1)(NC3=CC=C(C=C3)C#N)O)COC

Isomeric SMILES

COCC1(C(CC2=CC=CC=C2O1)(NC3=CC=C(C=C3)C#N)O)COC

InChI

InChI=1S/C20H22N2O4/c1-24-13-19(14-25-2)20(23,11-16-5-3-4-6-18(16)26-19)22-17-9-7-15(12-21)8-10-17/h3-10,22-23H,11,13-14H2,1-2H3