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

Systemtic Name: 4-[[[4-(5-chloranyl-2-phenylmethoxy-phenyl)-1,3-thiazol-2-yl]-(2-cyclohexylethyl)amino]methyl]benzoic acid Openeye Name: 4-[[[4-(2-benzyloxy-5-chloro-phenyl)thiazol-2-yl]-(2-cyclohexylethyl)amino]methyl]benzoic acid CAS Name: 4-[[[4-(5-chloro-2-phenylmethoxyphenyl)-2-thiazolyl]-(2-cyclohexylethyl)amino]methyl]benzoic acid IUPAC Name: 4-[[[4-(5-chloro-2-phenylmethoxyphenyl)-1,3-thiazol-2-yl]-(2-cyclohexylethyl)amino]methyl]benzoic acid Traditional Name: 4-[[[4-(2-benzoxy-5-chloro-phenyl)thiazol-2-yl]-(2-cyclohexylethyl)amino]methyl]benzoic acid Formula: C32H33ClN2O3S MolecularWeight: 561.13402

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCN(CC2=CC=C(C=C2)C(=O)O)C3=NC(=CS3)C4=C(C=CC(=C4)Cl)OCC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)CCN(CC2=CC=C(C=C2)C(=O)O)C3=NC(=CS3)C4=C(C=CC(=C4)Cl)OCC5=CC=CC=C5

InChI

InChI=1S/C32H33ClN2O3S/c33-27-15-16-30(38-21-25-9-5-2-6-10-25)28(19-27)29-22-39-32(34-29)35(18-17-23-7-3-1-4-8-23)20-24-11-13-26(14-12-24)31(36)37/h2,5-6,9-16,19,22-23H,1,3-4,7-8,17-18,20-21H2,(H,36,37)