4-[[butan-2-yl(ethyl)amino]methyl]benzoic acid

Systemtic Name: 4-[[butan-2-yl(ethyl)amino]methyl]benzoic acid Openeye Name: 4-[[ethyl(sec-butyl)amino]methyl]benzoic acid CAS Name: 4-[[butan-2-yl(ethyl)amino]methyl]benzoic acid IUPAC Name: 4-[[butan-2-yl(ethyl)amino]methyl]benzoic acid Traditional Name: 4-[[ethyl(sec-butyl)amino]methyl]benzoic acid Formula: C14H21NO2 MolecularWeight: 235.32204

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC)CC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CCC(C)N(CC)CC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C14H21NO2/c1-4-11(3)15(5-2)10-12-6-8-13(9-7-12)14(16)17/h6-9,11H,4-5,10H2,1-3H3,(H,16,17)