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

Systemtic Name: ethyl 6-[[3-(5-bromanyl-1,3-benzoxazol-2-yl)phenyl]carbamoylamino]hexanoate Openeye Name: ethyl 6-[[3-(5-bromo-1,3-benzoxazol-2-yl)phenyl]carbamoylamino]hexanoate CAS Name: 6-[[[3-(5-bromo-1,3-benzoxazol-2-yl)anilino]-oxomethyl]amino]hexanoic acid ethyl ester IUPAC Name: ethyl 6-[[3-(5-bromo-1,3-benzoxazol-2-yl)phenyl]carbamoylamino]hexanoate Traditional Name: 6-[[3-(5-bromo-1,3-benzoxazol-2-yl)phenyl]carbamoylamino]hexanoic acid ethyl ester Formula: C22H24BrN3O4 MolecularWeight: 474.34766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24BrN3O4/c1-2-29-20(27)9-4-3-5-12-24-22(28)25-17-8-6-7-15(13-17)21-26-18-14-16(23)10-11-19(18)30-21/h6-8,10-11,13-14H,2-5,9,12H2,1H3,(H2,24,25,28)