4-fluoranyl-3-(3-methylbutylamino)benzoic acid

Systemtic Name: 4-fluoranyl-3-(3-methylbutylamino)benzoic acid Openeye Name: 4-fluoro-3-(isopentylamino)benzoic acid CAS Name: 4-fluoro-3-(3-methylbutylamino)benzoic acid IUPAC Name: 4-fluoro-3-(3-methylbutylamino)benzoic acid Traditional Name: 4-fluoro-3-(isoamylamino)benzoic acid Formula: C12H16FNO2 MolecularWeight: 225.259343

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=C(C=CC(=C1)C(=O)O)F

Isomeric SMILES

CC(C)CCNC1=C(C=CC(=C1)C(=O)O)F

InChI

InChI=1S/C12H16FNO2/c1-8(2)5-6-14-11-7-9(12(15)16)3-4-10(11)13/h3-4,7-8,14H,5-6H2,1-2H3,(H,15,16)