methyl 3-[[(E)-3-(4-butoxy-3-methoxy-phenyl)prop-2-enoyl]amino]-4-fluoranyl-benzoate

Systemtic Name: methyl 3-[[(E)-3-(4-butoxy-3-methoxy-phenyl)prop-2-enoyl]amino]-4-fluoranyl-benzoate Openeye Name: methyl 3-[[(E)-3-(4-butoxy-3-methoxy-phenyl)prop-2-enoyl]amino]-4-fluoro-benzoate CAS Name: 3-[[(E)-3-(4-butoxy-3-methoxyphenyl)-1-oxoprop-2-enyl]amino]-4-fluorobenzoic acid methyl ester IUPAC Name: methyl 3-[[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]amino]-4-fluorobenzoate Traditional Name: 3-[[(E)-3-(4-butoxy-3-methoxy-phenyl)acryloyl]amino]-4-fluoro-benzoic acid methyl ester Formula: C22H24FNO5 MolecularWeight: 401.428063

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=CC(=O)NC2=C(C=CC(=C2)C(=O)OC)F)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)/C=C/C(=O)NC2=C(C=CC(=C2)C(=O)OC)F)OC

InChI

InChI=1S/C22H24FNO5/c1-4-5-12-29-19-10-6-15(13-20(19)27-2)7-11-21(25)24-18-14-16(22(26)28-3)8-9-17(18)23/h6-11,13-14H,4-5,12H2,1-3H3,(H,24,25)/b11-7+