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

Systemtic Name: 4-[[4-(5-chloranyl-2-phenylmethoxy-phenyl)-1,3-thiazol-2-yl]-(2-phenoxyethyl)amino]benzoic acid Openeye Name: 4-[[4-(2-benzyloxy-5-chloro-phenyl)thiazol-2-yl]-(2-phenoxyethyl)amino]benzoic acid CAS Name: 4-[[4-(5-chloro-2-phenylmethoxyphenyl)-2-thiazolyl]-(2-phenoxyethyl)amino]benzoic acid IUPAC Name: 4-[[4-(5-chloro-2-phenylmethoxyphenyl)-1,3-thiazol-2-yl]-(2-phenoxyethyl)amino]benzoic acid Traditional Name: 4-[[4-(2-benzoxy-5-chloro-phenyl)thiazol-2-yl]-(2-phenoxyethyl)amino]benzoic acid Formula: C31H25ClN2O4S MolecularWeight: 557.0592

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Cl)C3=CSC(=N3)N(CCOC4=CC=CC=C4)C5=CC=C(C=C5)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Cl)C3=CSC(=N3)N(CCOC4=CC=CC=C4)C5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C31H25ClN2O4S/c32-24-13-16-29(38-20-22-7-3-1-4-8-22)27(19-24)28-21-39-31(33-28)34(17-18-37-26-9-5-2-6-10-26)25-14-11-23(12-15-25)30(35)36/h1-16,19,21H,17-18,20H2,(H,35,36)