[(2S)-1-[(4-chloranyl-2-methoxy-5-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-azanyl-4-fluoranyl-benzoate

Systemtic Name: [(2S)-1-[(4-chloranyl-2-methoxy-5-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-azanyl-4-fluoranyl-benzoate Openeye Name: [(1S)-2-(4-chloro-2-methoxy-5-methyl-anilino)-1-methyl-2-oxo-ethyl] 2-amino-4-fluoro-benzoate CAS Name: 2-amino-4-fluorobenzoic acid [(2S)-1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2-amino-4-fluorobenzoate Traditional Name: 2-amino-4-fluoro-benzoic acid [(1S)-2-(4-chloro-2-methoxy-5-methyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C18H18ClFN2O4 MolecularWeight: 380.797923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC(=O)C(C)OC(=O)C2=C(C=C(C=C2)F)N

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=O)[C@H](C)OC(=O)C2=C(C=C(C=C2)F)N

InChI

InChI=1S/C18H18ClFN2O4/c1-9-6-15(16(25-3)8-13(9)19)22-17(23)10(2)26-18(24)12-5-4-11(20)7-14(12)21/h4-8,10H,21H2,1-3H3,(H,22,23)/t10-/m0/s1