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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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