1-[(pentanoylamino)methyl]-2-[[2-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]-1-benzofuran-5-yl]methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 1-[(pentanoylamino)methyl]-2-[[2-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]-1-benzofuran-5-yl]methyl]cyclohexane-1-carboxylic acid Openeye Name: 1-[(pentanoylamino)methyl]-2-[[2-[2-(2H-tetrazol-5-yl)phenyl]benzofuran-5-yl]methyl]cyclohexanecarboxylic acid CAS Name: 1-[(1-oxopentylamino)methyl]-2-[[2-[2-(2H-tetrazol-5-yl)phenyl]-5-benzofuranyl]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 1-[(pentanoylamino)methyl]-2-[[2-[2-(2H-tetrazol-5-yl)phenyl]-1-benzofuran-5-yl]methyl]cyclohexane-1-carboxylic acid Traditional Name: 2-[[2-[2-(2H-tetrazol-5-yl)phenyl]benzofuran-5-yl]methyl]-1-[(valerylamino)methyl]cyclohexanecarboxylic acid Formula: C29H33N5O4 MolecularWeight: 515.60342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NCC1(CCCCC1CC2=CC3=C(C=C2)OC(=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)O

Isomeric SMILES

CCCCC(=O)NCC1(CCCCC1CC2=CC3=C(C=C2)OC(=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)O

InChI

InChI=1S/C29H33N5O4/c1-2-3-11-26(35)30-18-29(28(36)37)14-7-6-8-21(29)16-19-12-13-24-20(15-19)17-25(38-24)22-9-4-5-10-23(22)27-31-33-34-32-27/h4-5,9-10,12-13,15,17,21H,2-3,6-8,11,14,16,18H2,1H3,(H,30,35)(H,36,37)(H,31,32,33,34)