[2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 4-chloranyl-2-[(4-fluorophenyl)carbonylamino]benzoate

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 4-chloranyl-2-[(4-fluorophenyl)carbonylamino]benzoate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] 4-chloro-2-[(4-fluorobenzoyl)amino]benzoate CAS Name: 4-chloro-2-[[(4-fluorophenyl)-oxomethyl]amino]benzoic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] 4-chloro-2-[(4-fluorobenzoyl)amino]benzoate Traditional Name: 4-chloro-2-[(4-fluorobenzoyl)amino]benzoic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C21H22ClFN2O4 MolecularWeight: 420.861783

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)COC(=O)C1=C(C=C(C=C1)Cl)NC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CC(C)CCNC(=O)COC(=O)C1=C(C=C(C=C1)Cl)NC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C21H22ClFN2O4/c1-13(2)9-10-24-19(26)12-29-21(28)17-8-5-15(22)11-18(17)25-20(27)14-3-6-16(23)7-4-14/h3-8,11,13H,9-10,12H2,1-2H3,(H,24,26)(H,25,27)