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

Systemtic Name: 5-[[2-[[(2-fluorophenyl)carbonyl-propyl-amino]methyl]pyrrol-1-yl]methyl]furan-2-carboxylic acid Openeye Name: 5-[[2-[[(2-fluorobenzoyl)-propyl-amino]methyl]pyrrol-1-yl]methyl]furan-2-carboxylic acid CAS Name: 5-[[2-[[[(2-fluorophenyl)-oxomethyl]-propylamino]methyl]-1-pyrrolyl]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[2-[[(2-fluorobenzoyl)-propylamino]methyl]pyrrol-1-yl]methyl]furan-2-carboxylic acid Traditional Name: 5-[[2-[[(2-fluorobenzoyl)-propyl-amino]methyl]pyrrol-1-yl]methyl]-2-furoic acid Formula: C21H21FN2O4 MolecularWeight: 384.400843

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=CN1CC2=CC=C(O2)C(=O)O)C(=O)C3=CC=CC=C3F

Isomeric SMILES

CCCN(CC1=CC=CN1CC2=CC=C(O2)C(=O)O)C(=O)C3=CC=CC=C3F

InChI

InChI=1S/C21H21FN2O4/c1-2-11-24(20(25)17-7-3-4-8-18(17)22)13-15-6-5-12-23(15)14-16-9-10-19(28-16)21(26)27/h3-10,12H,2,11,13-14H2,1H3,(H,26,27)