2-azanyl-5-[[3-carboxy-4-[(3-fluorophenyl)amino]phenyl]methyl]benzoic acid

Systemtic Name: 2-azanyl-5-[[3-carboxy-4-[(3-fluorophenyl)amino]phenyl]methyl]benzoic acid Openeye Name: 2-amino-5-[[3-carboxy-4-(3-fluoroanilino)phenyl]methyl]benzoic acid CAS Name: 2-amino-5-[[3-carboxy-4-(3-fluoroanilino)phenyl]methyl]benzoic acid IUPAC Name: 2-amino-5-[[3-carboxy-4-(3-fluoroanilino)phenyl]methyl]benzoic acid Traditional Name: 2-amino-5-[3-carboxy-4-(3-fluoroanilino)benzyl]benzoic acid Formula: C21H17FN2O4 MolecularWeight: 380.369083

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)F)NC2=C(C=C(C=C2)CC3=CC(=C(C=C3)N)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)F)NC2=C(C=C(C=C2)CC3=CC(=C(C=C3)N)C(=O)O)C(=O)O

InChI

InChI=1S/C21H17FN2O4/c22-14-2-1-3-15(11-14)24-19-7-5-13(10-17(19)21(27)28)8-12-4-6-18(23)16(9-12)20(25)26/h1-7,9-11,24H,8,23H2,(H,25,26)(H,27,28)