[(2R)-1-[(3-fluorophenyl)methyl-methyl-amino]-1-oxidanylidene-propan-2-yl] 2-methylquinoline-4-carboxylate

Systemtic Name: [(2R)-1-[(3-fluorophenyl)methyl-methyl-amino]-1-oxidanylidene-propan-2-yl] 2-methylquinoline-4-carboxylate Openeye Name: [(1R)-2-[(3-fluorophenyl)methyl-methyl-amino]-1-methyl-2-oxo-ethyl] 2-methylquinoline-4-carboxylate CAS Name: 2-methyl-4-quinolinecarboxylic acid [(2R)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 2-methylquinoline-4-carboxylate Traditional Name: 2-methylcinchoninic acid [(1R)-2-[(3-fluorobenzyl)-methyl-amino]-2-keto-1-methyl-ethyl] ester Formula: C22H21FN2O3 MolecularWeight: 380.412143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)C(=O)O[C@H](C)C(=O)N(C)CC3=CC(=CC=C3)F

InChI

InChI=1S/C22H21FN2O3/c1-14-11-19(18-9-4-5-10-20(18)24-14)22(27)28-15(2)21(26)25(3)13-16-7-6-8-17(23)12-16/h4-12,15H,13H2,1-3H3/t15-/m1/s1