2-[3-(aminomethyl)-3-methyl-pyrrolidin-1-yl]-1-cyclopropyl-6-fluoranyl-5,8-dimethyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 2-[3-(aminomethyl)-3-methyl-pyrrolidin-1-yl]-1-cyclopropyl-6-fluoranyl-5,8-dimethyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 2-[3-(aminomethyl)-3-methyl-pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-5,8-dimethyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 2-[3-(aminomethyl)-3-methyl-1-pyrrolidinyl]-1-cyclopropyl-6-fluoro-5,8-dimethyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-5,8-dimethyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 2-[3-(aminomethyl)-3-methyl-pyrrolidino]-1-cyclopropyl-6-fluoro-4-keto-5,8-dimethyl-quinoline-3-carboxylic acid Formula: C21H26FN3O3 MolecularWeight: 387.447843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C1N(C(=C(C2=O)C(=O)O)N3CCC(C3)(C)CN)C4CC4)C)F

Isomeric SMILES

CC1=CC(=C(C2=C1N(C(=C(C2=O)C(=O)O)N3CCC(C3)(C)CN)C4CC4)C)F

InChI

InChI=1S/C21H26FN3O3/c1-11-8-14(22)12(2)15-17(11)25(13-4-5-13)19(16(18(15)26)20(27)28)24-7-6-21(3,9-23)10-24/h8,13H,4-7,9-10,23H2,1-3H3,(H,27,28)