3-(2,6-dimethylheptan-4-ylamino)-4-fluoranyl-benzoic acid

Systemtic Name: 3-(2,6-dimethylheptan-4-ylamino)-4-fluoranyl-benzoic acid Openeye Name: 4-fluoro-3-[(1-isobutyl-3-methyl-butyl)amino]benzoic acid CAS Name: 3-(2,6-dimethylheptan-4-ylamino)-4-fluorobenzoic acid IUPAC Name: 3-(2,6-dimethylheptan-4-ylamino)-4-fluorobenzoic acid Traditional Name: 4-fluoro-3-[(1-isobutyl-3-methyl-butyl)amino]benzoic acid Formula: C16H24FNO2 MolecularWeight: 281.365663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24FNO2/c1-10(2)7-13(8-11(3)4)18-15-9-12(16(19)20)5-6-14(15)17/h5-6,9-11,13,18H,7-8H2,1-4H3,(H,19,20)