[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxidanylidene-ethyl] 2-cyclopropylquinoline-4-carboxylate

Systemtic Name: [2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxidanylidene-ethyl] 2-cyclopropylquinoline-4-carboxylate Openeye Name: [2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxo-ethyl] 2-cyclopropylquinoline-4-carboxylate CAS Name: 2-cyclopropyl-4-quinolinecarboxylic acid [2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl] 2-cyclopropylquinoline-4-carboxylate Traditional Name: 2-cyclopropylcinchoninic acid [2-[cyclopropyl-(2-fluorobenzyl)amino]-2-keto-ethyl] ester Formula: C25H23FN2O3 MolecularWeight: 418.460123

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)N(CC4=CC=CC=C4F)C5CC5

Isomeric SMILES

C1CC1C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)N(CC4=CC=CC=C4F)C5CC5

InChI

InChI=1S/C25H23FN2O3/c26-21-7-3-1-5-17(21)14-28(18-11-12-18)24(29)15-31-25(30)20-13-23(16-9-10-16)27-22-8-4-2-6-19(20)22/h1-8,13,16,18H,9-12,14-15H2