methyl 4-fluoranyl-3-[[2-[(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl]amino]benzoate

Systemtic Name: methyl 4-fluoranyl-3-[[2-[(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl]amino]benzoate Openeye Name: methyl 4-fluoro-3-[[2-[(4-methylcyclohexyl)amino]-2-oxo-ethyl]amino]benzoate CAS Name: 4-fluoro-3-[[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-fluoro-3-[[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]benzoate Traditional Name: 4-fluoro-3-[[2-keto-2-[(4-methylcyclohexyl)amino]ethyl]amino]benzoic acid methyl ester Formula: C17H23FN2O3 MolecularWeight: 322.374523

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NC(=O)CNC2=C(C=CC(=C2)C(=O)OC)F

Isomeric SMILES

CC1CCC(CC1)NC(=O)CNC2=C(C=CC(=C2)C(=O)OC)F

InChI

InChI=1S/C17H23FN2O3/c1-11-3-6-13(7-4-11)20-16(21)10-19-15-9-12(17(22)23-2)5-8-14(15)18/h5,8-9,11,13,19H,3-4,6-7,10H2,1-2H3,(H,20,21)