5-bromanyl-2-methoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]-3-methyl-benzamide

Systemtic Name: 5-bromanyl-2-methoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]-3-methyl-benzamide Openeye Name: 5-bromo-2-methoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]-3-methyl-benzamide CAS Name: 5-bromo-2-methoxy-N-[3-methoxy-4-(1-oxopentylamino)phenyl]-3-methylbenzamide IUPAC Name: 5-bromo-2-methoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]-3-methylbenzamide Traditional Name: 5-bromo-2-methoxy-N-[3-methoxy-4-(valerylamino)phenyl]-3-methyl-benzamide Formula: C21H25BrN2O4 MolecularWeight: 449.3382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=C(C=C(C=C1)NC(=O)C2=CC(=CC(=C2OC)C)Br)OC

Isomeric SMILES

CCCCC(=O)NC1=C(C=C(C=C1)NC(=O)C2=CC(=CC(=C2OC)C)Br)OC

InChI

InChI=1S/C21H25BrN2O4/c1-5-6-7-19(25)24-17-9-8-15(12-18(17)27-3)23-21(26)16-11-14(22)10-13(2)20(16)28-4/h8-12H,5-7H2,1-4H3,(H,23,26)(H,24,25)