2-azanyl-3-(3-methylbutyl)benzoate

Systemtic Name: 2-azanyl-3-(3-methylbutyl)benzoate Openeye Name: 2-amino-3-isopentyl-benzoate CAS Name: 2-amino-3-(3-methylbutyl)benzoate IUPAC Name: 2-amino-3-(3-methylbutyl)benzoate Traditional Name: 2-amino-3-isoamyl-benzoate Formula: C12H16NO2- MolecularWeight: 206.26094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=CC=CC(=C1N)C(=O)[O-]

Isomeric SMILES

CC(C)CCC1=CC=CC(=C1N)C(=O)[O-]

InChI

InChI=1S/C12H17NO2/c1-8(2)6-7-9-4-3-5-10(11(9)13)12(14)15/h3-5,8H,6-7,13H2,1-2H3,(H,14,15)/p-1