3-[4-[4-[(4-heptan-4-ylphenyl)methoxy]-2-methyl-phenyl]-1,3-thiazol-2-yl]-2-[methyl(1,3-thiazol-4-yl)amino]propanoic acid

Systemtic Name: 3-[4-[4-[(4-heptan-4-ylphenyl)methoxy]-2-methyl-phenyl]-1,3-thiazol-2-yl]-2-[methyl(1,3-thiazol-4-yl)amino]propanoic acid Openeye Name: 3-[4-[2-methyl-4-[[4-(1-propylbutyl)phenyl]methoxy]phenyl]thiazol-2-yl]-2-[methyl(thiazol-4-yl)amino]propanoic acid CAS Name: 3-[4-[4-[(4-heptan-4-ylphenyl)methoxy]-2-methylphenyl]-2-thiazolyl]-2-[methyl(4-thiazolyl)amino]propanoic acid IUPAC Name: 3-[4-[4-[(4-heptan-4-ylphenyl)methoxy]-2-methylphenyl]-1,3-thiazol-2-yl]-2-[methyl(1,3-thiazol-4-yl)amino]propanoic acid Traditional Name: 3-[4-[2-methyl-4-[4-(1-propylbutyl)benzyl]oxy-phenyl]thiazol-2-yl]-2-[methyl(thiazol-4-yl)amino]propionic acid Formula: C31H37N3O3S2 MolecularWeight: 563.77378

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)C1=CC=C(C=C1)COC2=CC(=C(C=C2)C3=CSC(=N3)CC(C(=O)O)N(C)C4=CSC=N4)C

Isomeric SMILES

CCCC(CCC)C1=CC=C(C=C1)COC2=CC(=C(C=C2)C3=CSC(=N3)CC(C(=O)O)N(C)C4=CSC=N4)C

InChI

InChI=1S/C31H37N3O3S2/c1-5-7-23(8-6-2)24-11-9-22(10-12-24)17-37-25-13-14-26(21(3)15-25)27-18-39-30(33-27)16-28(31(35)36)34(4)29-19-38-20-32-29/h9-15,18-20,23,28H,5-8,16-17H2,1-4H3,(H,35,36)