(2-morpholin-4-yl-2-oxidanylidene-1-phenyl-ethyl) (E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoate

Systemtic Name: (2-morpholin-4-yl-2-oxidanylidene-1-phenyl-ethyl) (E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoate Openeye Name: (2-morpholino-2-oxo-1-phenyl-ethyl) (E)-3-(5-bromo-2-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-methoxyphenyl)-2-propenoic acid [2-(4-morpholinyl)-2-oxo-1-phenylethyl] ester IUPAC Name: (2-morpholin-4-yl-2-oxo-1-phenylethyl) (E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-methoxy-phenyl)acrylic acid (2-keto-2-morpholino-1-phenyl-ethyl) ester Formula: C22H22BrNO5 MolecularWeight: 460.31778

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C=CC(=O)OC(C2=CC=CC=C2)C(=O)N3CCOCC3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)/C=C/C(=O)OC(C2=CC=CC=C2)C(=O)N3CCOCC3

InChI

InChI=1S/C22H22BrNO5/c1-27-19-9-8-18(23)15-17(19)7-10-20(25)29-21(16-5-3-2-4-6-16)22(26)24-11-13-28-14-12-24/h2-10,15,21H,11-14H2,1H3/b10-7+