4-[(3,5-ditert-butylphenyl)carbamoyl]-2-fluoranyl-benzoic acid

Systemtic Name: 4-[(3,5-ditert-butylphenyl)carbamoyl]-2-fluoranyl-benzoic acid Openeye Name: 4-[(3,5-ditert-butylphenyl)carbamoyl]-2-fluoro-benzoic acid CAS Name: 4-[(3,5-ditert-butylanilino)-oxomethyl]-2-fluorobenzoic acid IUPAC Name: 4-[(3,5-ditert-butylphenyl)carbamoyl]-2-fluorobenzoic acid Traditional Name: 4-[(3,5-ditert-butylphenyl)carbamoyl]-2-fluoro-benzoic acid Formula: C22H26FNO3 MolecularWeight: 371.445143

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)NC(=O)C2=CC(=C(C=C2)C(=O)O)F)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)NC(=O)C2=CC(=C(C=C2)C(=O)O)F)C(C)(C)C

InChI

InChI=1S/C22H26FNO3/c1-21(2,3)14-10-15(22(4,5)6)12-16(11-14)24-19(25)13-7-8-17(20(26)27)18(23)9-13/h7-12H,1-6H3,(H,24,25)(H,26,27)