methyl 4-[[3-(4-fluorophenyl)-3-pyrrol-1-yl-propanoyl]amino]benzoate

Systemtic Name: methyl 4-[[3-(4-fluorophenyl)-3-pyrrol-1-yl-propanoyl]amino]benzoate Openeye Name: methyl 4-[[3-(4-fluorophenyl)-3-pyrrol-1-yl-propanoyl]amino]benzoate CAS Name: 4-[[3-(4-fluorophenyl)-1-oxo-3-(1-pyrrolyl)propyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(4-fluorophenyl)-3-pyrrol-1-ylpropanoyl]amino]benzoate Traditional Name: 4-[[3-(4-fluorophenyl)-3-pyrrol-1-yl-propanoyl]amino]benzoic acid methyl ester Formula: C21H19FN2O3 MolecularWeight: 366.385563

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CC(C2=CC=C(C=C2)F)N3C=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CC(C2=CC=C(C=C2)F)N3C=CC=C3

InChI

InChI=1S/C21H19FN2O3/c1-27-21(26)16-6-10-18(11-7-16)23-20(25)14-19(24-12-2-3-13-24)15-4-8-17(22)9-5-15/h2-13,19H,14H2,1H3,(H,23,25)