[2-oxidanylidene-5-[1-oxidanyl-2-(propan-2-ylamino)butyl]-1H-quinolin-8-yl] 4-fluoranylbenzoate

Systemtic Name: [2-oxidanylidene-5-[1-oxidanyl-2-(propan-2-ylamino)butyl]-1H-quinolin-8-yl] 4-fluoranylbenzoate Openeye Name: [5-[1-hydroxy-2-(isopropylamino)butyl]-2-oxo-1H-quinolin-8-yl] 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid [5-[1-hydroxy-2-(propan-2-ylamino)butyl]-2-oxo-1H-quinolin-8-yl] ester IUPAC Name: [5-[1-hydroxy-2-(propan-2-ylamino)butyl]-2-oxo-1H-quinolin-8-yl] 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid [5-[1-hydroxy-2-(isopropylamino)butyl]-2-keto-1H-quinolin-8-yl] ester Formula: C23H25FN2O4 MolecularWeight: 412.454003

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C1=C2C=CC(=O)NC2=C(C=C1)OC(=O)C3=CC=C(C=C3)F)O)NC(C)C

Isomeric SMILES

CCC(C(C1=C2C=CC(=O)NC2=C(C=C1)OC(=O)C3=CC=C(C=C3)F)O)NC(C)C

InChI

InChI=1S/C23H25FN2O4/c1-4-18(25-13(2)3)22(28)17-9-11-19(21-16(17)10-12-20(27)26-21)30-23(29)14-5-7-15(24)8-6-14/h5-13,18,22,25,28H,4H2,1-3H3,(H,26,27)