2-azanyl-3-nonan-4-yl-benzoic acid

Systemtic Name: 2-azanyl-3-nonan-4-yl-benzoic acid Openeye Name: 2-amino-3-(1-propylhexyl)benzoic acid CAS Name: 2-amino-3-nonan-4-ylbenzoic acid IUPAC Name: 2-amino-3-nonan-4-ylbenzoic acid Traditional Name: 2-amino-3-(1-propylhexyl)benzoic acid Formula: C16H25NO2 MolecularWeight: 263.3752

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCC)C1=CC=CC(=C1N)C(=O)O

Isomeric SMILES

CCCCCC(CCC)C1=CC=CC(=C1N)C(=O)O

InChI

InChI=1S/C16H25NO2/c1-3-5-6-9-12(8-4-2)13-10-7-11-14(15(13)17)16(18)19/h7,10-12H,3-6,8-9,17H2,1-2H3,(H,18,19)