methyl 5-[[2-[(4-butan-2-ylphenyl)amino]-2-oxidanylidene-ethyl]amino]-2-fluoranyl-benzoate

Systemtic Name: methyl 5-[[2-[(4-butan-2-ylphenyl)amino]-2-oxidanylidene-ethyl]amino]-2-fluoranyl-benzoate Openeye Name: methyl 2-fluoro-5-[[2-oxo-2-(4-sec-butylanilino)ethyl]amino]benzoate CAS Name: 5-[[2-(4-butan-2-ylanilino)-2-oxoethyl]amino]-2-fluorobenzoic acid methyl ester IUPAC Name: methyl 5-[[2-(4-butan-2-ylanilino)-2-oxoethyl]amino]-2-fluorobenzoate Traditional Name: 2-fluoro-5-[[2-keto-2-(4-sec-butylanilino)ethyl]amino]benzoic acid methyl ester Formula: C20H23FN2O3 MolecularWeight: 358.406623

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=O)CNC2=CC(=C(C=C2)F)C(=O)OC

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=O)CNC2=CC(=C(C=C2)F)C(=O)OC

InChI

InChI=1S/C20H23FN2O3/c1-4-13(2)14-5-7-15(8-6-14)23-19(24)12-22-16-9-10-18(21)17(11-16)20(25)26-3/h5-11,13,22H,4,12H2,1-3H3,(H,23,24)