4-fluoranyl-3-(5-methylheptan-3-ylamino)benzoic acid

Systemtic Name: 4-fluoranyl-3-(5-methylheptan-3-ylamino)benzoic acid Openeye Name: 3-[(1-ethyl-3-methyl-pentyl)amino]-4-fluoro-benzoic acid CAS Name: 4-fluoro-3-(5-methylheptan-3-ylamino)benzoic acid IUPAC Name: 4-fluoro-3-(5-methylheptan-3-ylamino)benzoic acid Traditional Name: 3-[(1-ethyl-3-methyl-pentyl)amino]-4-fluoro-benzoic acid Formula: C15H22FNO2 MolecularWeight: 267.339083

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC(CC)NC1=C(C=CC(=C1)C(=O)O)F

Isomeric SMILES

CCC(C)CC(CC)NC1=C(C=CC(=C1)C(=O)O)F

InChI

InChI=1S/C15H22FNO2/c1-4-10(3)8-12(5-2)17-14-9-11(15(18)19)6-7-13(14)16/h6-7,9-10,12,17H,4-5,8H2,1-3H3,(H,18,19)