4-azanyl-2,3-dimethyl-5-pentyl-benzoic acid

Systemtic Name: 4-azanyl-2,3-dimethyl-5-pentyl-benzoic acid Openeye Name: 4-amino-2,3-dimethyl-5-pentyl-benzoic acid CAS Name: 4-amino-2,3-dimethyl-5-pentylbenzoic acid IUPAC Name: 4-amino-2,3-dimethyl-5-pentylbenzoic acid Traditional Name: 4-amino-5-amyl-2,3-dimethyl-benzoic acid Formula: C14H21NO2 MolecularWeight: 235.32204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(=C(C(=C1)C(=O)O)C)C)N

Isomeric SMILES

CCCCCC1=C(C(=C(C(=C1)C(=O)O)C)C)N

InChI

InChI=1S/C14H21NO2/c1-4-5-6-7-11-8-12(14(16)17)9(2)10(3)13(11)15/h8H,4-7,15H2,1-3H3,(H,16,17)