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

Systemtic Name: 4-[[4-(5-chloranyl-2-phenylmethoxy-phenyl)-1,3-thiazol-2-yl]-methyl-amino]benzoic acid Openeye Name: 4-[[4-(2-benzyloxy-5-chloro-phenyl)thiazol-2-yl]-methyl-amino]benzoic acid CAS Name: 4-[[4-(5-chloro-2-phenylmethoxyphenyl)-2-thiazolyl]-methylamino]benzoic acid IUPAC Name: 4-[[4-(5-chloro-2-phenylmethoxyphenyl)-1,3-thiazol-2-yl]-methylamino]benzoic acid Traditional Name: 4-[[4-(2-benzoxy-5-chloro-phenyl)thiazol-2-yl]-methyl-amino]benzoic acid Formula: C24H19ClN2O3S MolecularWeight: 450.93726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H19ClN2O3S/c1-27(19-10-7-17(8-11-19)23(28)29)24-26-21(15-31-24)20-13-18(25)9-12-22(20)30-14-16-5-3-2-4-6-16/h2-13,15H,14H2,1H3,(H,28,29)