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

Systemtic Name: 1-(4-chlorophenyl)-3-cyano-2-[(3S,4R)-6-(2,2-dimethylpropanoyl)-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl]guanidine Openeye Name: 1-(4-chlorophenyl)-3-cyano-2-[(3S,4R)-6-(2,2-dimethylpropanoyl)-3-hydroxy-2,2-dimethyl-chroman-4-yl]guanidine CAS Name: 1-(4-chlorophenyl)-3-cyano-2-[(3S,4R)-6-(2,2-dimethyl-1-oxopropyl)-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]guanidine IUPAC Name: 1-(4-chlorophenyl)-3-cyano-2-[(3S,4R)-6-(2,2-dimethylpropanoyl)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]guanidine Traditional Name: 1-(4-chlorophenyl)-3-cyano-2-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-pivaloyl-chroman-4-yl]guanidine Formula: C24H27ClN4O3 MolecularWeight: 454.94918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27ClN4O3/c1-23(2,3)20(30)14-6-11-18-17(12-14)19(21(31)24(4,5)32-18)29-22(27-13-26)28-16-9-7-15(25)8-10-16/h6-12,19,21,31H,1-5H3,(H2,27,28,29)/t19-,21+/m1/s1