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

Systemtic Name: N-[(3S,4R)-6-cyano-2,2-bis(methoxymethyl)-3-oxidanyl-3,4-dihydrochromen-4-yl]benzamide Openeye Name: N-[(3S,4R)-6-cyano-3-hydroxy-2,2-bis(methoxymethyl)chroman-4-yl]benzamide CAS Name: N-[(3S,4R)-6-cyano-3-hydroxy-2,2-bis(methoxymethyl)-3,4-dihydro-2H-1-benzopyran-4-yl]benzamide IUPAC Name: N-[(3S,4R)-6-cyano-3-hydroxy-2,2-bis(methoxymethyl)-3,4-dihydrochromen-4-yl]benzamide Traditional Name: N-[(3S,4R)-6-cyano-3-hydroxy-2,2-bis(methoxymethyl)chroman-4-yl]benzamide Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O5/c1-26-12-21(13-27-2)19(24)18(23-20(25)15-6-4-3-5-7-15)16-10-14(11-22)8-9-17(16)28-21/h3-10,18-19,24H,12-13H2,1-2H3,(H,23,25)/t18-,19+/m1/s1