1,3-benzoxazol-2-yl-(4-chlorophenyl)methanamine; 2-methyl-2-phenoxy-pentanoic acid

Systemtic Name: 1,3-benzoxazol-2-yl-(4-chlorophenyl)methanamine; 2-methyl-2-phenoxy-pentanoic acid Openeye Name: 1,3-benzoxazol-2-yl-(4-chlorophenyl)methanamine; 2-methyl-2-phenoxy-pentanoic acid CAS Name: 1,3-benzoxazol-2-yl-(4-chlorophenyl)methanamine; 2-methyl-2-phenoxypentanoic acid IUPAC Name: 1,3-benzoxazol-2-yl-(4-chlorophenyl)methanamine; 2-methyl-2-phenoxypentanoic acid Traditional Name: [1,3-benzoxazol-2-yl-(4-chlorophenyl)methyl]amine; 2-methyl-2-phenoxy-valeric acid Formula: C26H27ClN2O4 MolecularWeight: 466.95658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C(=O)O)OC1=CC=CC=C1.C1=CC=C2C(=C1)N=C(O2)C(C3=CC=C(C=C3)Cl)N

Isomeric SMILES

CCCC(C)(C(=O)O)OC1=CC=CC=C1.C1=CC=C2C(=C1)N=C(O2)C(C3=CC=C(C=C3)Cl)N

InChI

InChI=1S/C14H11ClN2O.C12H16O3/c15-10-7-5-9(6-8-10)13(16)14-17-11-3-1-2-4-12(11)18-14;1-3-9-12(2,11(13)14)15-10-7-5-4-6-8-10/h1-8,13H,16H2;4-8H,3,9H2,1-2H3,(H,13,14)