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

Systemtic Name: methyl 2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-5-morpholin-4-yl-benzoate Openeye Name: methyl 2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-5-morpholino-benzoate CAS Name: 2-[[(E)-3-(4-fluorophenyl)-1-oxoprop-2-enyl]amino]-5-(4-morpholinyl)benzoic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-5-morpholin-4-ylbenzoate Traditional Name: 2-[[(E)-3-(4-fluorophenyl)acryloyl]amino]-5-morpholino-benzoic acid methyl ester Formula: C21H21FN2O4 MolecularWeight: 384.400843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21FN2O4/c1-27-21(26)18-14-17(24-10-12-28-13-11-24)7-8-19(18)23-20(25)9-4-15-2-5-16(22)6-3-15/h2-9,14H,10-13H2,1H3,(H,23,25)/b9-4+