methyl 5-(2,6-dimethylheptan-4-ylamino)-2-fluoranyl-benzoate

Systemtic Name: methyl 5-(2,6-dimethylheptan-4-ylamino)-2-fluoranyl-benzoate Openeye Name: methyl 2-fluoro-5-[(1-isobutyl-3-methyl-butyl)amino]benzoate CAS Name: 5-(2,6-dimethylheptan-4-ylamino)-2-fluorobenzoic acid methyl ester IUPAC Name: methyl 5-(2,6-dimethylheptan-4-ylamino)-2-fluorobenzoate Traditional Name: 2-fluoro-5-[(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=CC(=C(C=C1)F)C(=O)OC

Isomeric SMILES

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

InChI

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