5-[[2-[[(2-fluorophenyl)carbamoyl-propyl-amino]methyl]pyrrol-1-yl]methyl]furan-2-carboxylic acid

Systemtic Name: 5-[[2-[[(2-fluorophenyl)carbamoyl-propyl-amino]methyl]pyrrol-1-yl]methyl]furan-2-carboxylic acid Openeye Name: 5-[[2-[[(2-fluorophenyl)carbamoyl-propyl-amino]methyl]pyrrol-1-yl]methyl]furan-2-carboxylic acid CAS Name: 5-[[2-[[[(2-fluoroanilino)-oxomethyl]-propylamino]methyl]-1-pyrrolyl]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[2-[[(2-fluorophenyl)carbamoyl-propylamino]methyl]pyrrol-1-yl]methyl]furan-2-carboxylic acid Traditional Name: 5-[[2-[[(2-fluorophenyl)carbamoyl-propyl-amino]methyl]pyrrol-1-yl]methyl]-2-furoic acid Formula: C21H22FN3O4 MolecularWeight: 399.415483

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=CN1CC2=CC=C(O2)C(=O)O)C(=O)NC3=CC=CC=C3F

Isomeric SMILES

CCCN(CC1=CC=CN1CC2=CC=C(O2)C(=O)O)C(=O)NC3=CC=CC=C3F

InChI

InChI=1S/C21H22FN3O4/c1-2-11-25(21(28)23-18-8-4-3-7-17(18)22)13-15-6-5-12-24(15)14-16-9-10-19(29-16)20(26)27/h3-10,12H,2,11,13-14H2,1H3,(H,23,28)(H,26,27)