4-[[propan-2-yl(propyl)amino]methyl]benzoic acid

Systemtic Name: 4-[[propan-2-yl(propyl)amino]methyl]benzoic acid Openeye Name: 4-[[isopropyl(propyl)amino]methyl]benzoic acid CAS Name: 4-[[propan-2-yl(propyl)amino]methyl]benzoic acid IUPAC Name: 4-[[propan-2-yl(propyl)amino]methyl]benzoic acid Traditional Name: 4-[[isopropyl(propyl)amino]methyl]benzoic acid Formula: C14H21NO2 MolecularWeight: 235.32204

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=C(C=C1)C(=O)O)C(C)C

Isomeric SMILES

CCCN(CC1=CC=C(C=C1)C(=O)O)C(C)C

InChI

InChI=1S/C14H21NO2/c1-4-9-15(11(2)3)10-12-5-7-13(8-6-12)14(16)17/h5-8,11H,4,9-10H2,1-3H3,(H,16,17)