methyl 3-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methylcarbamoylamino]benzoate

Systemtic Name: methyl 3-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methylcarbamoylamino]benzoate Openeye Name: methyl 3-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methylcarbamoylamino]benzoate CAS Name: 3-[[[[1-[(3-fluorophenyl)methyl]-2-pyrrolyl]methylamino]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methylcarbamoylamino]benzoate Traditional Name: 3-[[1-(3-fluorobenzyl)pyrrol-2-yl]methylcarbamoylamino]benzoic acid methyl ester Formula: C21H20FN3O3 MolecularWeight: 381.400203

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)NCC2=CC=CN2CC3=CC(=CC=C3)F

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)NCC2=CC=CN2CC3=CC(=CC=C3)F

InChI

InChI=1S/C21H20FN3O3/c1-28-20(26)16-6-3-8-18(12-16)24-21(27)23-13-19-9-4-10-25(19)14-15-5-2-7-17(22)11-15/h2-12H,13-14H2,1H3,(H2,23,24,27)