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

Systemtic Name: 2-[[4-[4-[(4-heptan-4-ylphenyl)methoxy]-2-methyl-phenyl]-1,3-thiazol-2-yl]methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethanoic acid Openeye Name: 2-[[4-[2-methyl-4-[[4-(1-propylbutyl)phenyl]methoxy]phenyl]thiazol-2-yl]methyl-[(2-methylthiazol-4-yl)methyl]amino]acetic acid CAS Name: 2-[[4-[4-[(4-heptan-4-ylphenyl)methoxy]-2-methylphenyl]-2-thiazolyl]methyl-[(2-methyl-4-thiazolyl)methyl]amino]acetic acid IUPAC Name: 2-[[4-[4-[(4-heptan-4-ylphenyl)methoxy]-2-methylphenyl]-1,3-thiazol-2-yl]methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]acetic acid Traditional Name: 2-[[4-[2-methyl-4-[4-(1-propylbutyl)benzyl]oxy-phenyl]thiazol-2-yl]methyl-[(2-methylthiazol-4-yl)methyl]amino]acetic acid Formula: C32H39N3O3S2 MolecularWeight: 577.80036

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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)CN(CC4=CSC(=N4)C)CC(=O)O)C

Isomeric SMILES

CCCC(CCC)C1=CC=C(C=C1)COC2=CC(=C(C=C2)C3=CSC(=N3)CN(CC4=CSC(=N4)C)CC(=O)O)C

InChI

InChI=1S/C32H39N3O3S2/c1-5-7-25(8-6-2)26-11-9-24(10-12-26)19-38-28-13-14-29(22(3)15-28)30-21-40-31(34-30)17-35(18-32(36)37)16-27-20-39-23(4)33-27/h9-15,20-21,25H,5-8,16-19H2,1-4H3,(H,36,37)