7-[(3R)-3-azanylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[(3R)-3-azanylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[(3R)-3-aminopyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[(3R)-3-amino-1-pyrrolidinyl]-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[(3R)-3-aminopyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[(3R)-3-aminopyrrolidino]-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C17H18FN3O3 MolecularWeight: 331.341523

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCC(C4)N)F)C(=O)O

Isomeric SMILES

C1CN(C[C@@H]1N)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F

InChI

InChI=1S/C17H18FN3O3/c18-13-5-11-14(6-15(13)20-4-3-9(19)7-20)21(10-1-2-10)8-12(16(11)22)17(23)24/h5-6,8-10H,1-4,7,19H2,(H,23,24)/t9-/m1/s1