methyl 3-(2,6-dimethylheptan-4-ylamino)-4-fluoranyl-benzoate

Systemtic Name: methyl 3-(2,6-dimethylheptan-4-ylamino)-4-fluoranyl-benzoate Openeye Name: methyl 4-fluoro-3-[(1-isobutyl-3-methyl-butyl)amino]benzoate CAS Name: 3-(2,6-dimethylheptan-4-ylamino)-4-fluorobenzoic acid methyl ester IUPAC Name: methyl 3-(2,6-dimethylheptan-4-ylamino)-4-fluorobenzoate Traditional Name: 4-fluoro-3-[(1-isobutyl-3-methyl-butyl)amino]benzoic acid methyl ester Formula: C17H26FNO2 MolecularWeight: 295.392243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26FNO2/c1-11(2)8-14(9-12(3)4)19-16-10-13(17(20)21-5)6-7-15(16)18/h6-7,10-12,14,19H,8-9H2,1-5H3