methyl 3-[(7-fluoranyl-2-oxidanylidene-3,4-dihydro-1H-quinolin-4-yl)carbonylamino]-4-pyrrolidin-1-yl-benzoate

Systemtic Name: methyl 3-[(7-fluoranyl-2-oxidanylidene-3,4-dihydro-1H-quinolin-4-yl)carbonylamino]-4-pyrrolidin-1-yl-benzoate Openeye Name: methyl 3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]-4-pyrrolidin-1-yl-benzoate CAS Name: 3-[[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-4-yl)-oxomethyl]amino]-4-(1-pyrrolidinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-[(7-fluoro-2-keto-3,4-dihydro-1H-quinoline-4-carbonyl)amino]-4-pyrrolidino-benzoic acid methyl ester Formula: C22H22FN3O4 MolecularWeight: 411.426183

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=O)C3CC(=O)NC4=C3C=CC(=C4)F

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=O)C3CC(=O)NC4=C3C=CC(=C4)F

InChI

InChI=1S/C22H22FN3O4/c1-30-22(29)13-4-7-19(26-8-2-3-9-26)18(10-13)25-21(28)16-12-20(27)24-17-11-14(23)5-6-15(16)17/h4-7,10-11,16H,2-3,8-9,12H2,1H3,(H,24,27)(H,25,28)