2-[[4-[[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-methyl-amino]methyl]phenyl]carbonyl-methyl-amino]ethanoic acid

Systemtic Name: 2-[[4-[[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-methyl-amino]methyl]phenyl]carbonyl-methyl-amino]ethanoic acid Openeye Name: 2-[[4-[[[4-(2,5-dimethoxyphenyl)thiazol-2-yl]-methyl-amino]methyl]benzoyl]-methyl-amino]acetic acid CAS Name: 2-[[[4-[[[4-(2,5-dimethoxyphenyl)-2-thiazolyl]-methylamino]methyl]phenyl]-oxomethyl]-methylamino]acetic acid IUPAC Name: 2-[[4-[[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-methylamino]methyl]benzoyl]-methylamino]acetic acid Traditional Name: 2-[[4-[[[4-(2,5-dimethoxyphenyl)thiazol-2-yl]-methyl-amino]methyl]benzoyl]-methyl-amino]acetic acid Formula: C23H25N3O5S MolecularWeight: 455.5267

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)C(=O)N(C)CC(=O)O)C2=NC(=CS2)C3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CN(CC1=CC=C(C=C1)C(=O)N(C)CC(=O)O)C2=NC(=CS2)C3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C23H25N3O5S/c1-25(13-21(27)28)22(29)16-7-5-15(6-8-16)12-26(2)23-24-19(14-32-23)18-11-17(30-3)9-10-20(18)31-4/h5-11,14H,12-13H2,1-4H3,(H,27,28)