2-[1-(1H-benzimidazol-2-yl)ethyl-[[4-[4-[(4-heptan-4-ylphenoxy)methyl]phenyl]thiophen-2-yl]methyl]amino]ethanoic acid

Systemtic Name: 2-[1-(1H-benzimidazol-2-yl)ethyl-[[4-[4-[(4-heptan-4-ylphenoxy)methyl]phenyl]thiophen-2-yl]methyl]amino]ethanoic acid Openeye Name: 2-[1-(1H-benzimidazol-2-yl)ethyl-[[4-[4-[[4-(1-propylbutyl)phenoxy]methyl]phenyl]-2-thienyl]methyl]amino]acetic acid CAS Name: 2-[1-(1H-benzimidazol-2-yl)ethyl-[[4-[4-[(4-heptan-4-ylphenoxy)methyl]phenyl]-2-thiophenyl]methyl]amino]acetic acid IUPAC Name: 2-[1-(1H-benzimidazol-2-yl)ethyl-[[4-[4-[(4-heptan-4-ylphenoxy)methyl]phenyl]thiophen-2-yl]methyl]amino]acetic acid Traditional Name: 2-[1-(1H-benzimidazol-2-yl)ethyl-[[4-[4-[[4-(1-propylbutyl)phenoxy]methyl]phenyl]-2-thienyl]methyl]amino]acetic acid Formula: C36H41N3O3S MolecularWeight: 595.79404

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)C1=CC=C(C=C1)OCC2=CC=C(C=C2)C3=CSC(=C3)CN(CC(=O)O)C(C)C4=NC5=CC=CC=C5N4

Isomeric SMILES

CCCC(CCC)C1=CC=C(C=C1)OCC2=CC=C(C=C2)C3=CSC(=C3)CN(CC(=O)O)C(C)C4=NC5=CC=CC=C5N4

InChI

InChI=1S/C36H41N3O3S/c1-4-8-27(9-5-2)28-16-18-31(19-17-28)42-23-26-12-14-29(15-13-26)30-20-32(43-24-30)21-39(22-35(40)41)25(3)36-37-33-10-6-7-11-34(33)38-36/h6-7,10-20,24-25,27H,4-5,8-9,21-23H2,1-3H3,(H,37,38)(H,40,41)