N-[(2S,3R,4S)-4-[2-(cyanoamino)benzimidazol-1-yl]-2-(dimethoxymethyl)-2-methyl-3-oxidanyl-3,4-dihydrochromen-6-yl]benzamide

Systemtic Name: N-[(2S,3R,4S)-4-[2-(cyanoamino)benzimidazol-1-yl]-2-(dimethoxymethyl)-2-methyl-3-oxidanyl-3,4-dihydrochromen-6-yl]benzamide Openeye Name: N-[(2S,3R,4S)-4-[2-(cyanoamino)benzimidazol-1-yl]-2-(dimethoxymethyl)-3-hydroxy-2-methyl-chroman-6-yl]benzamide CAS Name: N-[(2S,3R,4S)-4-[2-(cyanoamino)-1-benzimidazolyl]-2-(dimethoxymethyl)-3-hydroxy-2-methyl-3,4-dihydro-2H-1-benzopyran-6-yl]benzamide IUPAC Name: N-[(2S,3R,4S)-4-[2-(cyanoamino)benzimidazol-1-yl]-2-(dimethoxymethyl)-3-hydroxy-2-methyl-3,4-dihydrochromen-6-yl]benzamide Traditional Name: N-[(2S,3R,4S)-4-[2-(cyanoamino)benzimidazol-1-yl]-2-(dimethoxymethyl)-3-hydroxy-2-methyl-chroman-6-yl]benzamide Formula: C28H27N5O5 MolecularWeight: 513.54448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)N4C5=CC=CC=C5N=C4NC#N)O)C(OC)OC

Isomeric SMILES

C[C@]1([C@@H]([C@H](C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)N4C5=CC=CC=C5N=C4NC#N)O)C(OC)OC

InChI

InChI=1S/C28H27N5O5/c1-28(26(36-2)37-3)24(34)23(33-21-12-8-7-11-20(21)32-27(33)30-16-29)19-15-18(13-14-22(19)38-28)31-25(35)17-9-5-4-6-10-17/h4-15,23-24,26,34H,1-3H3,(H,30,32)(H,31,35)/t23-,24+,28-/m0/s1