2-[1H-benzimidazol-2-ylmethyl-[[4-[4-[(4-heptan-4-ylphenyl)methoxy]-2-methyl-phenyl]-1,3-thiazol-2-yl]methyl]amino]ethanoic acid

Systemtic Name: 2-[1H-benzimidazol-2-ylmethyl-[[4-[4-[(4-heptan-4-ylphenyl)methoxy]-2-methyl-phenyl]-1,3-thiazol-2-yl]methyl]amino]ethanoic acid Openeye Name: 2-[1H-benzimidazol-2-ylmethyl-[[4-[2-methyl-4-[[4-(1-propylbutyl)phenyl]methoxy]phenyl]thiazol-2-yl]methyl]amino]acetic acid CAS Name: 2-[1H-benzimidazol-2-ylmethyl-[[4-[4-[(4-heptan-4-ylphenyl)methoxy]-2-methylphenyl]-2-thiazolyl]methyl]amino]acetic acid IUPAC Name: 2-[1H-benzimidazol-2-ylmethyl-[[4-[4-[(4-heptan-4-ylphenyl)methoxy]-2-methylphenyl]-1,3-thiazol-2-yl]methyl]amino]acetic acid Traditional Name: 2-[1H-benzimidazol-2-ylmethyl-[[4-[2-methyl-4-[4-(1-propylbutyl)benzyl]oxy-phenyl]thiazol-2-yl]methyl]amino]acetic acid Formula: C35H40N4O3S MolecularWeight: 596.7821

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)C1=CC=C(C=C1)COC2=CC(=C(C=C2)C3=CSC(=N3)CN(CC4=NC5=CC=CC=C5N4)CC(=O)O)C

Isomeric SMILES

CCCC(CCC)C1=CC=C(C=C1)COC2=CC(=C(C=C2)C3=CSC(=N3)CN(CC4=NC5=CC=CC=C5N4)CC(=O)O)C

InChI

InChI=1S/C35H40N4O3S/c1-4-8-26(9-5-2)27-14-12-25(13-15-27)22-42-28-16-17-29(24(3)18-28)32-23-43-34(38-32)20-39(21-35(40)41)19-33-36-30-10-6-7-11-31(30)37-33/h6-7,10-18,23,26H,4-5,8-9,19-22H2,1-3H3,(H,36,37)(H,40,41)