methyl 2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]oxymethyl]-4-methyl-quinoline-3-carboxylate

Systemtic Name: methyl 2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]oxymethyl]-4-methyl-quinoline-3-carboxylate Openeye Name: methyl 2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]oxymethyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[(E)-3-(4-fluorophenyl)-1-oxoprop-2-enoxy]methyl]-4-methyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]oxymethyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[(E)-3-(4-fluorophenyl)acryloyl]oxymethyl]-4-methyl-quinoline-3-carboxylic acid methyl ester Formula: C22H18FNO4 MolecularWeight: 379.381023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)COC(=O)C=CC3=CC=C(C=C3)F)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)COC(=O)/C=C/C3=CC=C(C=C3)F)C(=O)OC

InChI

InChI=1S/C22H18FNO4/c1-14-17-5-3-4-6-18(17)24-19(21(14)22(26)27-2)13-28-20(25)12-9-15-7-10-16(23)11-8-15/h3-12H,13H2,1-2H3/b12-9+