4-[[[4-(5-chloranyl-2-phenylmethoxy-phenyl)-1,3-thiazol-2-yl]-methyl-amino]methyl]benzoic acid

Systemtic Name: 4-[[[4-(5-chloranyl-2-phenylmethoxy-phenyl)-1,3-thiazol-2-yl]-methyl-amino]methyl]benzoic acid Openeye Name: 4-[[[4-(2-benzyloxy-5-chloro-phenyl)thiazol-2-yl]-methyl-amino]methyl]benzoic acid CAS Name: 4-[[[4-(5-chloro-2-phenylmethoxyphenyl)-2-thiazolyl]-methylamino]methyl]benzoic acid IUPAC Name: 4-[[[4-(5-chloro-2-phenylmethoxyphenyl)-1,3-thiazol-2-yl]-methylamino]methyl]benzoic acid Traditional Name: 4-[[[4-(2-benzoxy-5-chloro-phenyl)thiazol-2-yl]-methyl-amino]methyl]benzoic acid Formula: C25H21ClN2O3S MolecularWeight: 464.96384

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)C(=O)O)C2=NC(=CS2)C3=C(C=CC(=C3)Cl)OCC4=CC=CC=C4

Isomeric SMILES

CN(CC1=CC=C(C=C1)C(=O)O)C2=NC(=CS2)C3=C(C=CC(=C3)Cl)OCC4=CC=CC=C4

InChI

InChI=1S/C25H21ClN2O3S/c1-28(14-17-7-9-19(10-8-17)24(29)30)25-27-22(16-32-25)21-13-20(26)11-12-23(21)31-15-18-5-3-2-4-6-18/h2-13,16H,14-15H2,1H3,(H,29,30)