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

Systemtic Name: methyl 2-[[(E)-3-(3-bromophenyl)prop-2-enoyl]amino]-5-morpholin-4-yl-benzoate Openeye Name: methyl 2-[[(E)-3-(3-bromophenyl)prop-2-enoyl]amino]-5-morpholino-benzoate CAS Name: 2-[[(E)-3-(3-bromophenyl)-1-oxoprop-2-enyl]amino]-5-(4-morpholinyl)benzoic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-(3-bromophenyl)prop-2-enoyl]amino]-5-morpholin-4-ylbenzoate Traditional Name: 2-[[(E)-3-(3-bromophenyl)acryloyl]amino]-5-morpholino-benzoic acid methyl ester Formula: C21H21BrN2O4 MolecularWeight: 445.30644

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)N2CCOCC2)NC(=O)C=CC3=CC(=CC=C3)Br

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)N2CCOCC2)NC(=O)/C=C/C3=CC(=CC=C3)Br

InChI

InChI=1S/C21H21BrN2O4/c1-27-21(26)18-14-17(24-9-11-28-12-10-24)6-7-19(18)23-20(25)8-5-15-3-2-4-16(22)13-15/h2-8,13-14H,9-12H2,1H3,(H,23,25)/b8-5+