2-[[5-[4-[(4-heptan-4-ylphenoxy)methyl]phenyl]thiophen-2-yl]methyl-[(2-phenyl-1H-imidazol-5-yl)methyl]amino]ethanoic acid

Systemtic Name: 2-[[5-[4-[(4-heptan-4-ylphenoxy)methyl]phenyl]thiophen-2-yl]methyl-[(2-phenyl-1H-imidazol-5-yl)methyl]amino]ethanoic acid Openeye Name: 2-[(2-phenyl-1H-imidazol-5-yl)methyl-[[5-[4-[[4-(1-propylbutyl)phenoxy]methyl]phenyl]-2-thienyl]methyl]amino]acetic acid CAS Name: 2-[[5-[4-[(4-heptan-4-ylphenoxy)methyl]phenyl]-2-thiophenyl]methyl-[(2-phenyl-1H-imidazol-5-yl)methyl]amino]acetic acid IUPAC Name: 2-[[5-[4-[(4-heptan-4-ylphenoxy)methyl]phenyl]thiophen-2-yl]methyl-[(2-phenyl-1H-imidazol-5-yl)methyl]amino]acetic acid Traditional Name: 2-[(2-phenyl-1H-imidazol-5-yl)methyl-[[5-[4-[[4-(1-propylbutyl)phenoxy]methyl]phenyl]-2-thienyl]methyl]amino]acetic acid Formula: C37H41N3O3S MolecularWeight: 607.80474

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)C1=CC=C(C=C1)OCC2=CC=C(C=C2)C3=CC=C(S3)CN(CC4=CN=C(N4)C5=CC=CC=C5)CC(=O)O

Isomeric SMILES

CCCC(CCC)C1=CC=C(C=C1)OCC2=CC=C(C=C2)C3=CC=C(S3)CN(CC4=CN=C(N4)C5=CC=CC=C5)CC(=O)O

InChI

InChI=1S/C37H41N3O3S/c1-3-8-28(9-4-2)29-16-18-33(19-17-29)43-26-27-12-14-30(15-13-27)35-21-20-34(44-35)24-40(25-36(41)42)23-32-22-38-37(39-32)31-10-6-5-7-11-31/h5-7,10-22,28H,3-4,8-9,23-26H2,1-2H3,(H,38,39)(H,41,42)