3-(3-methylbutylcarbamoylamino)benzoate

Systemtic Name: 3-(3-methylbutylcarbamoylamino)benzoate Openeye Name: 3-(isopentylcarbamoylamino)benzoate CAS Name: 3-[[(3-methylbutylamino)-oxomethyl]amino]benzoate IUPAC Name: 3-(3-methylbutylcarbamoylamino)benzoate Traditional Name: 3-(isoamylcarbamoylamino)benzoate Formula: C13H17N2O3- MolecularWeight: 249.28568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NC1=CC=CC(=C1)C(=O)[O-]

Isomeric SMILES

CC(C)CCNC(=O)NC1=CC=CC(=C1)C(=O)[O-]

InChI

InChI=1S/C13H18N2O3/c1-9(2)6-7-14-13(18)15-11-5-3-4-10(8-11)12(16)17/h3-5,8-9H,6-7H2,1-2H3,(H,16,17)(H2,14,15,18)/p-1