1-cyano-2-[(3S,4R)-6-cyano-2,2-bis(methoxymethyl)-3-oxidanyl-3,4-dihydrochromen-4-yl]-3-phenyl-guanidine

Systemtic Name: 1-cyano-2-[(3S,4R)-6-cyano-2,2-bis(methoxymethyl)-3-oxidanyl-3,4-dihydrochromen-4-yl]-3-phenyl-guanidine Openeye Name: 1-cyano-2-[(3S,4R)-6-cyano-3-hydroxy-2,2-bis(methoxymethyl)chroman-4-yl]-3-phenyl-guanidine CAS Name: 1-cyano-2-[(3S,4R)-6-cyano-3-hydroxy-2,2-bis(methoxymethyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-3-phenylguanidine IUPAC Name: 1-cyano-2-[(3S,4R)-6-cyano-3-hydroxy-2,2-bis(methoxymethyl)-3,4-dihydrochromen-4-yl]-3-phenylguanidine Traditional Name: 1-cyano-2-[(3S,4R)-6-cyano-3-hydroxy-2,2-bis(methoxymethyl)chroman-4-yl]-3-phenyl-guanidine Formula: C22H23N5O4 MolecularWeight: 421.44912

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Descriptors Computed from Structure

Canonical SMILES:

COCC1(C(C(C2=C(O1)C=CC(=C2)C#N)N=C(NC#N)NC3=CC=CC=C3)O)COC

Isomeric SMILES

COCC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)C#N)N=C(NC#N)NC3=CC=CC=C3)O)COC

InChI

InChI=1S/C22H23N5O4/c1-29-12-22(13-30-2)20(28)19(17-10-15(11-23)8-9-18(17)31-22)27-21(25-14-24)26-16-6-4-3-5-7-16/h3-10,19-20,28H,12-13H2,1-2H3,(H2,25,26,27)/t19-,20+/m1/s1