(2-chloranyl-7-methoxy-quinolin-3-yl)methyl 2-[(2-fluorophenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: (2-chloranyl-7-methoxy-quinolin-3-yl)methyl 2-[(2-fluorophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: (2-chloro-7-methoxy-3-quinolyl)methyl 2-[(2-fluorobenzoyl)amino]-3-methyl-butanoate CAS Name: 2-[[(2-fluorophenyl)-oxomethyl]amino]-3-methylbutanoic acid (2-chloro-7-methoxy-3-quinolinyl)methyl ester IUPAC Name: (2-chloro-7-methoxyquinolin-3-yl)methyl 2-[(2-fluorobenzoyl)amino]-3-methylbutanoate Traditional Name: 2-[(2-fluorobenzoyl)amino]-3-methyl-butyric acid (2-chloro-7-methoxy-3-quinolyl)methyl ester Formula: C23H22ClFN2O4 MolecularWeight: 444.883183

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=C(N=C2C=C(C=CC2=C1)OC)Cl)NC(=O)C3=CC=CC=C3F

Isomeric SMILES

CC(C)C(C(=O)OCC1=C(N=C2C=C(C=CC2=C1)OC)Cl)NC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C23H22ClFN2O4/c1-13(2)20(27-22(28)17-6-4-5-7-18(17)25)23(29)31-12-15-10-14-8-9-16(30-3)11-19(14)26-21(15)24/h4-11,13,20H,12H2,1-3H3,(H,27,28)