methyl 4-[[[cyclopentyl-(4-fluorophenyl)methyl]carbamoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[[cyclopentyl-(4-fluorophenyl)methyl]carbamoylamino]methyl]benzoate Openeye Name: methyl 4-[[[cyclopentyl-(4-fluorophenyl)methyl]carbamoylamino]methyl]benzoate CAS Name: 4-[[[[[cyclopentyl-(4-fluorophenyl)methyl]amino]-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[cyclopentyl-(4-fluorophenyl)methyl]carbamoylamino]methyl]benzoate Traditional Name: 4-[[[cyclopentyl-(4-fluorophenyl)methyl]carbamoylamino]methyl]benzoic acid methyl ester Formula: C22H25FN2O3 MolecularWeight: 384.443903

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)NC(C2CCCC2)C3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)NC(C2CCCC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H25FN2O3/c1-28-21(26)18-8-6-15(7-9-18)14-24-22(27)25-20(16-4-2-3-5-16)17-10-12-19(23)13-11-17/h6-13,16,20H,2-5,14H2,1H3,(H2,24,25,27)