methyl 2-[[(3-fluoranyl-4-methoxy-phenyl)methyl-methyl-amino]methyl]-4-methyl-quinoline-3-carboxylate

Systemtic Name: methyl 2-[[(3-fluoranyl-4-methoxy-phenyl)methyl-methyl-amino]methyl]-4-methyl-quinoline-3-carboxylate Openeye Name: methyl 2-[[(3-fluoro-4-methoxy-phenyl)methyl-methyl-amino]methyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]-4-methyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[(3-fluoro-4-methoxy-benzyl)-methyl-amino]methyl]-4-methyl-quinoline-3-carboxylic acid methyl ester Formula: C22H23FN2O3 MolecularWeight: 382.428023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23FN2O3/c1-14-16-7-5-6-8-18(16)24-19(21(14)22(26)28-4)13-25(2)12-15-9-10-20(27-3)17(23)11-15/h5-11H,12-13H2,1-4H3