methyl 3-[2-(1-adamantylcarbonylamino)propanoylamino]-4-fluoranyl-benzoate

Systemtic Name: methyl 3-[2-(1-adamantylcarbonylamino)propanoylamino]-4-fluoranyl-benzoate Openeye Name: methyl 3-[2-(adamantane-1-carbonylamino)propanoylamino]-4-fluoro-benzoate CAS Name: 3-[[2-[[1-adamantyl(oxo)methyl]amino]-1-oxopropyl]amino]-4-fluorobenzoic acid methyl ester IUPAC Name: methyl 3-[2-(adamantane-1-carbonylamino)propanoylamino]-4-fluorobenzoate Traditional Name: 3-[2-(adamantane-1-carbonylamino)propanoylamino]-4-fluoro-benzoic acid methyl ester Formula: C22H27FN2O4 MolecularWeight: 402.459183

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)C(=O)OC)F)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)C(=O)OC)F)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H27FN2O4/c1-12(19(26)25-18-8-16(20(27)29-2)3-4-17(18)23)24-21(28)22-9-13-5-14(10-22)7-15(6-13)11-22/h3-4,8,12-15H,5-7,9-11H2,1-2H3,(H,24,28)(H,25,26)