4-[1,3-benzoxazol-2-yl(cyclohexyl)amino]-2-methyl-2-phenoxy-hexanoic acid

Systemtic Name: 4-[1,3-benzoxazol-2-yl(cyclohexyl)amino]-2-methyl-2-phenoxy-hexanoic acid Openeye Name: 4-[1,3-benzoxazol-2-yl(cyclohexyl)amino]-2-methyl-2-phenoxy-hexanoic acid CAS Name: 4-[1,3-benzoxazol-2-yl(cyclohexyl)amino]-2-methyl-2-phenoxyhexanoic acid IUPAC Name: 4-[1,3-benzoxazol-2-yl(cyclohexyl)amino]-2-methyl-2-phenoxyhexanoic acid Traditional Name: 4-[1,3-benzoxazol-2-yl(cyclohexyl)amino]-2-methyl-2-phenoxy-hexanoic acid Formula: C26H32N2O4 MolecularWeight: 436.54328

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(C)(C(=O)O)OC1=CC=CC=C1)N(C2CCCCC2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CCC(CC(C)(C(=O)O)OC1=CC=CC=C1)N(C2CCCCC2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C26H32N2O4/c1-3-19(18-26(2,24(29)30)32-21-14-8-5-9-15-21)28(20-12-6-4-7-13-20)25-27-22-16-10-11-17-23(22)31-25/h5,8-11,14-17,19-20H,3-4,6-7,12-13,18H2,1-2H3,(H,29,30)