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

Systemtic Name: 4-[1,3-benzoxazol-2-yl(cyclohexylmethyl)amino]-2-methyl-2-phenoxy-pentanoic acid Openeye Name: 4-[1,3-benzoxazol-2-yl(cyclohexylmethyl)amino]-2-methyl-2-phenoxy-pentanoic acid CAS Name: 4-[1,3-benzoxazol-2-yl(cyclohexylmethyl)amino]-2-methyl-2-phenoxypentanoic acid IUPAC Name: 4-[1,3-benzoxazol-2-yl(cyclohexylmethyl)amino]-2-methyl-2-phenoxypentanoic acid Traditional Name: 4-[1,3-benzoxazol-2-yl(cyclohexylmethyl)amino]-2-methyl-2-phenoxy-valeric acid Formula: C26H32N2O4 MolecularWeight: 436.54328

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C)(C(=O)O)OC1=CC=CC=C1)N(CC2CCCCC2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CC(CC(C)(C(=O)O)OC1=CC=CC=C1)N(CC2CCCCC2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C26H32N2O4/c1-19(17-26(2,24(29)30)32-21-13-7-4-8-14-21)28(18-20-11-5-3-6-12-20)25-27-22-15-9-10-16-23(22)31-25/h4,7-10,13-16,19-20H,3,5-6,11-12,17-18H2,1-2H3,(H,29,30)