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

Systemtic Name: ethyl 6-[[5-(5-bromanyl-1,3-benzoxazol-2-yl)-2-methoxy-phenyl]carbamoylamino]hexanoate Openeye Name: ethyl 6-[[5-(5-bromo-1,3-benzoxazol-2-yl)-2-methoxy-phenyl]carbamoylamino]hexanoate CAS Name: 6-[[[5-(5-bromo-1,3-benzoxazol-2-yl)-2-methoxyanilino]-oxomethyl]amino]hexanoic acid ethyl ester IUPAC Name: ethyl 6-[[5-(5-bromo-1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamoylamino]hexanoate Traditional Name: 6-[[5-(5-bromo-1,3-benzoxazol-2-yl)-2-methoxy-phenyl]carbamoylamino]hexanoic acid ethyl ester Formula: C23H26BrN3O5 MolecularWeight: 504.37364

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCNC(=O)NC1=C(C=CC(=C1)C2=NC3=C(O2)C=CC(=C3)Br)OC

Isomeric SMILES

CCOC(=O)CCCCCNC(=O)NC1=C(C=CC(=C1)C2=NC3=C(O2)C=CC(=C3)Br)OC

InChI

InChI=1S/C23H26BrN3O5/c1-3-31-21(28)7-5-4-6-12-25-23(29)27-17-13-15(8-10-19(17)30-2)22-26-18-14-16(24)9-11-20(18)32-22/h8-11,13-14H,3-7,12H2,1-2H3,(H2,25,27,29)