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

Systemtic Name: 6-[[3-(5-bromanyl-1,3-benzoxazol-2-yl)phenyl]carbamoylamino]hexanoic acid Openeye Name: 6-[[3-(5-bromo-1,3-benzoxazol-2-yl)phenyl]carbamoylamino]hexanoic acid CAS Name: 6-[[[3-(5-bromo-1,3-benzoxazol-2-yl)anilino]-oxomethyl]amino]hexanoic acid IUPAC Name: 6-[[3-(5-bromo-1,3-benzoxazol-2-yl)phenyl]carbamoylamino]hexanoic acid Traditional Name: 6-[[3-(5-bromo-1,3-benzoxazol-2-yl)phenyl]carbamoylamino]hexanoic acid Formula: C20H20BrN3O4 MolecularWeight: 446.2945

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrN3O4/c21-14-8-9-17-16(12-14)24-19(28-17)13-5-4-6-15(11-13)23-20(27)22-10-3-1-2-7-18(25)26/h4-6,8-9,11-12H,1-3,7,10H2,(H,25,26)(H2,22,23,27)