5-[[(4-ethoxyphenyl)methyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carboxylic acid

Systemtic Name: 5-[[(4-ethoxyphenyl)methyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carboxylic acid Openeye Name: 5-[[(4-ethoxyphenyl)methyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carboxylic acid CAS Name: 5-[[(4-ethoxyphenyl)methyl-[(3-fluorophenyl)methyl]amino]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[(4-ethoxyphenyl)methyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carboxylic acid Traditional Name: 5-[[(4-ethoxybenzyl)-(3-fluorobenzyl)amino]methyl]-2-furoic acid Formula: C22H22FNO4 MolecularWeight: 383.412783

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN(CC2=CC(=CC=C2)F)CC3=CC=C(O3)C(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)CN(CC2=CC(=CC=C2)F)CC3=CC=C(O3)C(=O)O

InChI

InChI=1S/C22H22FNO4/c1-2-27-19-8-6-16(7-9-19)13-24(14-17-4-3-5-18(23)12-17)15-20-10-11-21(28-20)22(25)26/h3-12H,2,13-15H2,1H3,(H,25,26)