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

Systemtic Name: 6-[[2-methoxy-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamoylamino]hexanoic acid Openeye Name: 6-[[2-methoxy-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamoylamino]hexanoic acid CAS Name: 6-[[[2-methoxy-5-(6-methyl-1,3-benzoxazol-2-yl)anilino]-oxomethyl]amino]hexanoic acid IUPAC Name: 6-[[2-methoxy-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamoylamino]hexanoic acid Traditional Name: 6-[[2-methoxy-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamoylamino]hexanoic acid Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(O2)C3=CC(=C(C=C3)OC)NC(=O)NCCCCCC(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(O2)C3=CC(=C(C=C3)OC)NC(=O)NCCCCCC(=O)O

InChI

InChI=1S/C22H25N3O5/c1-14-7-9-16-19(12-14)30-21(24-16)15-8-10-18(29-2)17(13-15)25-22(28)23-11-5-3-4-6-20(26)27/h7-10,12-13H,3-6,11H2,1-2H3,(H,26,27)(H2,23,25,28)