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

Systemtic Name: 4-[2-cyclohexylethyl-[4-(5-methyl-2-phenylmethoxy-phenyl)-1,3-thiazol-2-yl]amino]benzoic acid Openeye Name: 4-[[4-(2-benzyloxy-5-methyl-phenyl)thiazol-2-yl]-(2-cyclohexylethyl)amino]benzoic acid CAS Name: 4-[2-cyclohexylethyl-[4-(5-methyl-2-phenylmethoxyphenyl)-2-thiazolyl]amino]benzoic acid IUPAC Name: 4-[2-cyclohexylethyl-[4-(5-methyl-2-phenylmethoxyphenyl)-1,3-thiazol-2-yl]amino]benzoic acid Traditional Name: 4-[[4-(2-benzoxy-5-methyl-phenyl)thiazol-2-yl]-(2-cyclohexylethyl)amino]benzoic acid Formula: C32H34N2O3S MolecularWeight: 526.68896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC2=CC=CC=C2)C3=CSC(=N3)N(CCC4CCCCC4)C5=CC=C(C=C5)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)OCC2=CC=CC=C2)C3=CSC(=N3)N(CCC4CCCCC4)C5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C32H34N2O3S/c1-23-12-17-30(37-21-25-10-6-3-7-11-25)28(20-23)29-22-38-32(33-29)34(19-18-24-8-4-2-5-9-24)27-15-13-26(14-16-27)31(35)36/h3,6-7,10-17,20,22,24H,2,4-5,8-9,18-19,21H2,1H3,(H,35,36)