4-[[4-[6-[(4-tert-butylphenyl)methoxy]-1,3-benzoxazol-2-yl]-1,3-thiazol-2-yl]-(cyclohexylmethyl)amino]benzoic acid

Systemtic Name: 4-[[4-[6-[(4-tert-butylphenyl)methoxy]-1,3-benzoxazol-2-yl]-1,3-thiazol-2-yl]-(cyclohexylmethyl)amino]benzoic acid Openeye Name: 4-[[4-[6-[(4-tert-butylphenyl)methoxy]-1,3-benzoxazol-2-yl]thiazol-2-yl]-(cyclohexylmethyl)amino]benzoic acid CAS Name: 4-[[4-[6-[(4-tert-butylphenyl)methoxy]-1,3-benzoxazol-2-yl]-2-thiazolyl]-(cyclohexylmethyl)amino]benzoic acid IUPAC Name: 4-[[4-[6-[(4-tert-butylphenyl)methoxy]-1,3-benzoxazol-2-yl]-1,3-thiazol-2-yl]-(cyclohexylmethyl)amino]benzoic acid Traditional Name: 4-[[4-[6-(4-tert-butylbenzyl)oxy-1,3-benzoxazol-2-yl]thiazol-2-yl]-(cyclohexylmethyl)amino]benzoic acid Formula: C35H37N3O4S MolecularWeight: 595.75098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)COC2=CC3=C(C=C2)N=C(O3)C4=CSC(=N4)N(CC5CCCCC5)C6=CC=C(C=C6)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)COC2=CC3=C(C=C2)N=C(O3)C4=CSC(=N4)N(CC5CCCCC5)C6=CC=C(C=C6)C(=O)O

InChI

InChI=1S/C35H37N3O4S/c1-35(2,3)26-13-9-24(10-14-26)21-41-28-17-18-29-31(19-28)42-32(36-29)30-22-43-34(37-30)38(20-23-7-5-4-6-8-23)27-15-11-25(12-16-27)33(39)40/h9-19,22-23H,4-8,20-21H2,1-3H3,(H,39,40)