4-fluoranyl-2-[(4-iodanyl-2-methyl-phenyl)amino]-5-pyrrolidin-1-yl-benzoic acid

Systemtic Name: 4-fluoranyl-2-[(4-iodanyl-2-methyl-phenyl)amino]-5-pyrrolidin-1-yl-benzoic acid Openeye Name: 4-fluoro-2-(4-iodo-2-methyl-anilino)-5-pyrrolidin-1-yl-benzoic acid CAS Name: 4-fluoro-2-(4-iodo-2-methylanilino)-5-(1-pyrrolidinyl)benzoic acid IUPAC Name: 4-fluoro-2-(4-iodo-2-methylanilino)-5-pyrrolidin-1-ylbenzoic acid Traditional Name: 4-fluoro-2-(4-iodo-2-methyl-anilino)-5-pyrrolidino-benzoic acid Formula: C18H18FIN2O2 MolecularWeight: 440.250593

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC2=CC(=C(C=C2C(=O)O)N3CCCC3)F

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC2=CC(=C(C=C2C(=O)O)N3CCCC3)F

InChI

InChI=1S/C18H18FIN2O2/c1-11-8-12(20)4-5-15(11)21-16-10-14(19)17(9-13(16)18(23)24)22-6-2-3-7-22/h4-5,8-10,21H,2-3,6-7H2,1H3,(H,23,24)