[2-[(3-fluoranyl-4-methoxy-phenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 2-methylquinoline-4-carboxylate

Systemtic Name: [2-[(3-fluoranyl-4-methoxy-phenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 2-methylquinoline-4-carboxylate Openeye Name: [2-[(3-fluoro-4-methoxy-phenyl)methyl-methyl-amino]-2-oxo-ethyl] 2-methylquinoline-4-carboxylate CAS Name: 2-methyl-4-quinolinecarboxylic acid [2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-methylquinoline-4-carboxylate Traditional Name: 2-methylcinchoninic acid [2-[(3-fluoro-4-methoxy-benzyl)-methyl-amino]-2-keto-ethyl] ester Formula: C22H21FN2O4 MolecularWeight: 396.411543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)N(C)CC3=CC(=C(C=C3)OC)F

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)N(C)CC3=CC(=C(C=C3)OC)F

InChI

InChI=1S/C22H21FN2O4/c1-14-10-17(16-6-4-5-7-19(16)24-14)22(27)29-13-21(26)25(2)12-15-8-9-20(28-3)18(23)11-15/h4-11H,12-13H2,1-3H3