[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 2-cyclopropylquinoline-4-carboxylate

Systemtic Name: [(2R)-1-[(4-fluorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 2-cyclopropylquinoline-4-carboxylate Openeye Name: [(1R)-2-[(4-fluorophenyl)methylamino]-1-methyl-2-oxo-ethyl] 2-cyclopropylquinoline-4-carboxylate CAS Name: 2-cyclopropyl-4-quinolinecarboxylic acid [(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 2-cyclopropylquinoline-4-carboxylate Traditional Name: 2-cyclopropylcinchoninic acid [(1R)-2-[(4-fluorobenzyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C23H21FN2O3 MolecularWeight: 392.422843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)F)OC(=O)C2=CC(=NC3=CC=CC=C32)C4CC4

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=C(C=C1)F)OC(=O)C2=CC(=NC3=CC=CC=C32)C4CC4

InChI

InChI=1S/C23H21FN2O3/c1-14(22(27)25-13-15-6-10-17(24)11-7-15)29-23(28)19-12-21(16-8-9-16)26-20-5-3-2-4-18(19)20/h2-7,10-12,14,16H,8-9,13H2,1H3,(H,25,27)/t14-/m1/s1