4-[2-[4-(carboxymethyl)-3-fluoranyl-phenyl]ethynyl]-2-[[cyclopropyl(methyl)amino]methyl]benzoic acid

Systemtic Name: 4-[2-[4-(carboxymethyl)-3-fluoranyl-phenyl]ethynyl]-2-[[cyclopropyl(methyl)amino]methyl]benzoic acid Openeye Name: 4-[2-[4-(carboxymethyl)-3-fluoro-phenyl]ethynyl]-2-[[cyclopropyl(methyl)amino]methyl]benzoic acid CAS Name: 4-[2-[4-(carboxymethyl)-3-fluorophenyl]ethynyl]-2-[[cyclopropyl(methyl)amino]methyl]benzoic acid IUPAC Name: 4-[2-[4-(carboxymethyl)-3-fluorophenyl]ethynyl]-2-[[cyclopropyl(methyl)amino]methyl]benzoic acid Traditional Name: 4-[2-[4-(carboxymethyl)-3-fluoro-phenyl]ethynyl]-2-[[cyclopropyl(methyl)amino]methyl]benzoic acid Formula: C22H20FNO4 MolecularWeight: 381.396903

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC(=C1)C#CC2=CC(=C(C=C2)CC(=O)O)F)C(=O)O)C3CC3

Isomeric SMILES

CN(CC1=C(C=CC(=C1)C#CC2=CC(=C(C=C2)CC(=O)O)F)C(=O)O)C3CC3

InChI

InChI=1S/C22H20FNO4/c1-24(18-7-8-18)13-17-10-14(5-9-19(17)22(27)28)2-3-15-4-6-16(12-21(25)26)20(23)11-15/h4-6,9-11,18H,7-8,12-13H2,1H3,(H,25,26)(H,27,28)