N-cyano-N'-[(3S,4R)-6-cyano-2,2-bis(methoxymethyl)-3-oxidanyl-3,4-dihydrochromen-4-yl]benzenecarboximidamide

Systemtic Name: N-cyano-N'-[(3S,4R)-6-cyano-2,2-bis(methoxymethyl)-3-oxidanyl-3,4-dihydrochromen-4-yl]benzenecarboximidamide Openeye Name: N-cyano-N'-[(3S,4R)-6-cyano-3-hydroxy-2,2-bis(methoxymethyl)chroman-4-yl]benzamidine CAS Name: N-cyano-N'-[(3S,4R)-6-cyano-3-hydroxy-2,2-bis(methoxymethyl)-3,4-dihydro-2H-1-benzopyran-4-yl]benzenecarboximidamide IUPAC Name: N-cyano-N'-[(3S,4R)-6-cyano-3-hydroxy-2,2-bis(methoxymethyl)-3,4-dihydrochromen-4-yl]benzenecarboximidamide Traditional Name: N-cyano-N'-[(3S,4R)-6-cyano-3-hydroxy-2,2-bis(methoxymethyl)chroman-4-yl]benzamidine Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

COCC1(C(C(C2=C(O1)C=CC(=C2)C#N)N=C(C3=CC=CC=C3)NC#N)O)COC

Isomeric SMILES

COCC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)C#N)N=C(C3=CC=CC=C3)NC#N)O)COC

InChI

InChI=1S/C22H22N4O4/c1-28-12-22(13-29-2)20(27)19(17-10-15(11-23)8-9-18(17)30-22)26-21(25-14-24)16-6-4-3-5-7-16/h3-10,19-20,27H,12-13H2,1-2H3,(H,25,26)/t19-,20+/m1/s1