2-aminocarbonyl-3-butyl-benzoic acid

Systemtic Name: 2-aminocarbonyl-3-butyl-benzoic acid Openeye Name: 3-butyl-2-carbamoyl-benzoic acid CAS Name: 3-butyl-2-carbamoylbenzoic acid IUPAC Name: 3-butyl-2-carbamoylbenzoic acid Traditional Name: 3-butyl-2-carbamoyl-benzoic acid Formula: C12H15NO3 MolecularWeight: 221.2524

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC(=C1C(=O)N)C(=O)O

Isomeric SMILES

CCCCC1=CC=CC(=C1C(=O)N)C(=O)O

InChI

InChI=1S/C12H15NO3/c1-2-3-5-8-6-4-7-9(12(15)16)10(8)11(13)14/h4,6-7H,2-3,5H2,1H3,(H2,13,14)(H,15,16)