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

Systemtic Name: ethyl 3-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methylcarbamoylamino]benzoate Openeye Name: ethyl 3-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methylcarbamoylamino]benzoate CAS Name: 3-[[[[1-[(3-fluorophenyl)methyl]-2-pyrrolyl]methylamino]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methylcarbamoylamino]benzoate Traditional Name: 3-[[1-(3-fluorobenzyl)pyrrol-2-yl]methylcarbamoylamino]benzoic acid ethyl ester Formula: C22H22FN3O3 MolecularWeight: 395.426783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22FN3O3/c1-2-29-21(27)17-7-4-9-19(13-17)25-22(28)24-14-20-10-5-11-26(20)15-16-6-3-8-18(23)12-16/h3-13H,2,14-15H2,1H3,(H2,24,25,28)