[2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate

Systemtic Name: [2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate Openeye Name: [2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxo-ethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate CAS Name: 3-(4-fluorophenyl)-4-imidazolecarboxylic acid [2-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate Traditional Name: 3-(4-fluorophenyl)imidazole-4-carboxylic acid [2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C21H22FN3O3 MolecularWeight: 383.416083

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C(=O)COC(=O)C2=CN=CN2C3=CC=C(C=C3)F)C

Isomeric SMILES

CCCN1C(=CC(=C1C)C(=O)COC(=O)C2=CN=CN2C3=CC=C(C=C3)F)C

InChI

InChI=1S/C21H22FN3O3/c1-4-9-24-14(2)10-18(15(24)3)20(26)12-28-21(27)19-11-23-13-25(19)17-7-5-16(22)6-8-17/h5-8,10-11,13H,4,9,12H2,1-3H3