methyl 2-fluoranyl-5-[[3-methyl-2-(phenylcarbamoylamino)butanoyl]amino]benzoate

Systemtic Name: methyl 2-fluoranyl-5-[[3-methyl-2-(phenylcarbamoylamino)butanoyl]amino]benzoate Openeye Name: methyl 2-fluoro-5-[[3-methyl-2-(phenylcarbamoylamino)butanoyl]amino]benzoate CAS Name: 5-[[2-[[anilino(oxo)methyl]amino]-3-methyl-1-oxobutyl]amino]-2-fluorobenzoic acid methyl ester IUPAC Name: methyl 2-fluoro-5-[[3-methyl-2-(phenylcarbamoylamino)butanoyl]amino]benzoate Traditional Name: 2-fluoro-5-[[3-methyl-2-(phenylcarbamoylamino)butanoyl]amino]benzoic acid methyl ester Formula: C20H22FN3O4 MolecularWeight: 387.404783

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC(=C(C=C1)F)C(=O)OC)NC(=O)NC2=CC=CC=C2

Isomeric SMILES

CC(C)C(C(=O)NC1=CC(=C(C=C1)F)C(=O)OC)NC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C20H22FN3O4/c1-12(2)17(24-20(27)23-13-7-5-4-6-8-13)18(25)22-14-9-10-16(21)15(11-14)19(26)28-3/h4-12,17H,1-3H3,(H,22,25)(H2,23,24,27)