N-cyano-N'-[(3S,4R)-6-cyano-2,2-bis(ethoxymethyl)-3-oxidanyl-3,4-dihydrochromen-4-yl]pyridine-3-carboximidamide

Systemtic Name: N-cyano-N'-[(3S,4R)-6-cyano-2,2-bis(ethoxymethyl)-3-oxidanyl-3,4-dihydrochromen-4-yl]pyridine-3-carboximidamide Openeye Name: N-cyano-N'-[(3S,4R)-6-cyano-2,2-bis(ethoxymethyl)-3-hydroxy-chroman-4-yl]pyridine-3-carboxamidine CAS Name: N-cyano-N'-[(3S,4R)-6-cyano-2,2-bis(ethoxymethyl)-3-hydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-3-pyridinecarboximidamide IUPAC Name: N-cyano-N'-[(3S,4R)-6-cyano-2,2-bis(ethoxymethyl)-3-hydroxy-3,4-dihydrochromen-4-yl]pyridine-3-carboximidamide Traditional Name: N-cyano-N'-[(3S,4R)-6-cyano-2,2-bis(ethoxymethyl)-3-hydroxy-chroman-4-yl]nicotinamidine Formula: C23H25N5O4 MolecularWeight: 435.4757

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1(C(C(C2=C(O1)C=CC(=C2)C#N)N=C(C3=CN=CC=C3)NC#N)O)COCC

Isomeric SMILES

CCOCC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)C#N)N=C(C3=CN=CC=C3)NC#N)O)COCC

InChI

InChI=1S/C23H25N5O4/c1-3-30-13-23(14-31-4-2)21(29)20(18-10-16(11-24)7-8-19(18)32-23)28-22(27-15-25)17-6-5-9-26-12-17/h5-10,12,20-21,29H,3-4,13-14H2,1-2H3,(H,27,28)/t20-,21+/m1/s1