ethyl 2-bromanyl-3-[4-[(2,3-dimethyl-4-oxidanylidene-1,3-benzoxazin-2-yl)methoxy]phenyl]propanoate

Systemtic Name: ethyl 2-bromanyl-3-[4-[(2,3-dimethyl-4-oxidanylidene-1,3-benzoxazin-2-yl)methoxy]phenyl]propanoate Openeye Name: ethyl 2-bromo-3-[4-[(2,3-dimethyl-4-oxo-1,3-benzoxazin-2-yl)methoxy]phenyl]propanoate CAS Name: 2-bromo-3-[4-[(2,3-dimethyl-4-oxo-1,3-benzoxazin-2-yl)methoxy]phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 2-bromo-3-[4-[(2,3-dimethyl-4-oxo-1,3-benzoxazin-2-yl)methoxy]phenyl]propanoate Traditional Name: 2-bromo-3-[4-[(4-keto-2,3-dimethyl-1,3-benzoxazin-2-yl)methoxy]phenyl]propionic acid ethyl ester Formula: C22H24BrNO5 MolecularWeight: 462.33366

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)OCC2(N(C(=O)C3=CC=CC=C3O2)C)C)Br

Isomeric SMILES

CCOC(=O)C(CC1=CC=C(C=C1)OCC2(N(C(=O)C3=CC=CC=C3O2)C)C)Br

InChI

InChI=1S/C22H24BrNO5/c1-4-27-21(26)18(23)13-15-9-11-16(12-10-15)28-14-22(2)24(3)20(25)17-7-5-6-8-19(17)29-22/h5-12,18H,4,13-14H2,1-3H3