6-[[5-(5-bromanyl-1,3-benzoxazol-2-yl)-2-methoxy-phenyl]carbamoylamino]hexanoic acid

Systemtic Name: 6-[[5-(5-bromanyl-1,3-benzoxazol-2-yl)-2-methoxy-phenyl]carbamoylamino]hexanoic acid Openeye Name: 6-[[5-(5-bromo-1,3-benzoxazol-2-yl)-2-methoxy-phenyl]carbamoylamino]hexanoic acid CAS Name: 6-[[[5-(5-bromo-1,3-benzoxazol-2-yl)-2-methoxyanilino]-oxomethyl]amino]hexanoic acid IUPAC Name: 6-[[5-(5-bromo-1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamoylamino]hexanoic acid Traditional Name: 6-[[5-(5-bromo-1,3-benzoxazol-2-yl)-2-methoxy-phenyl]carbamoylamino]hexanoic acid Formula: C21H22BrN3O5 MolecularWeight: 476.32048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)Br)NC(=O)NCCCCCC(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)Br)NC(=O)NCCCCCC(=O)O

InChI

InChI=1S/C21H22BrN3O5/c1-29-17-8-6-13(20-24-16-12-14(22)7-9-18(16)30-20)11-15(17)25-21(28)23-10-4-2-3-5-19(26)27/h6-9,11-12H,2-5,10H2,1H3,(H,26,27)(H2,23,25,28)