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

Systemtic Name: 1-cyano-2-[(3S,4R)-2,2-dimethyl-3-oxidanyl-6-(trifluoromethyl)-3,4-dihydrochromen-4-yl]-3-phenyl-guanidine Openeye Name: 1-cyano-2-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-(trifluoromethyl)chroman-4-yl]-3-phenyl-guanidine CAS Name: 1-cyano-2-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-(trifluoromethyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-3-phenylguanidine IUPAC Name: 1-cyano-2-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-(trifluoromethyl)-3,4-dihydrochromen-4-yl]-3-phenylguanidine Traditional Name: 1-cyano-2-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-(trifluoromethyl)chroman-4-yl]-3-phenyl-guanidine Formula: C20H19F3N4O2 MolecularWeight: 404.38567

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C(F)(F)F)N=C(NC#N)NC3=CC=CC=C3)O)C

Isomeric SMILES

CC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)C(F)(F)F)N=C(NC#N)NC3=CC=CC=C3)O)C

InChI

InChI=1S/C20H19F3N4O2/c1-19(2)17(28)16(14-10-12(20(21,22)23)8-9-15(14)29-19)27-18(25-11-24)26-13-6-4-3-5-7-13/h3-10,16-17,28H,1-2H3,(H2,25,26,27)/t16-,17+/m1/s1