methyl 2-[[(E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoyl]amino]-5-morpholin-4-yl-benzoate

Systemtic Name: methyl 2-[[(E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoyl]amino]-5-morpholin-4-yl-benzoate Openeye Name: methyl 2-[[(E)-3-(5-bromo-2-methoxy-phenyl)prop-2-enoyl]amino]-5-morpholino-benzoate CAS Name: 2-[[(E)-3-(5-bromo-2-methoxyphenyl)-1-oxoprop-2-enyl]amino]-5-(4-morpholinyl)benzoic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]amino]-5-morpholin-4-ylbenzoate Traditional Name: 2-[[(E)-3-(5-bromo-2-methoxy-phenyl)acryloyl]amino]-5-morpholino-benzoic acid methyl ester Formula: C22H23BrN2O5 MolecularWeight: 475.33242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C=CC(=O)NC2=C(C=C(C=C2)N3CCOCC3)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)Br)/C=C/C(=O)NC2=C(C=C(C=C2)N3CCOCC3)C(=O)OC

InChI

InChI=1S/C22H23BrN2O5/c1-28-20-7-4-16(23)13-15(20)3-8-21(26)24-19-6-5-17(14-18(19)22(27)29-2)25-9-11-30-12-10-25/h3-8,13-14H,9-12H2,1-2H3,(H,24,26)/b8-3+