methyl 2-[[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]methylcarbamoylamino]benzoate

Systemtic Name: methyl 2-[[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]methylcarbamoylamino]benzoate Openeye Name: methyl 2-[[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]methylcarbamoylamino]benzoate CAS Name: 2-[[[[1-(4-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]methylamino]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylcarbamoylamino]benzoate Traditional Name: 2-[[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]methylcarbamoylamino]benzoic acid methyl ester Formula: C22H22FN3O3 MolecularWeight: 395.426783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)F)C)CNC(=O)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)F)C)CNC(=O)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C22H22FN3O3/c1-14-12-16(15(2)26(14)18-10-8-17(23)9-11-18)13-24-22(28)25-20-7-5-4-6-19(20)21(27)29-3/h4-12H,13H2,1-3H3,(H2,24,25,28)