2-(4-carboxylatooctanoylamino)benzoate

Systemtic Name: 2-(4-carboxylatooctanoylamino)benzoate Openeye Name: 2-(4-carboxylatooctanoylamino)benzoate CAS Name: 2-[(4-carboxylato-1-oxooctyl)amino]benzoate IUPAC Name: 2-(4-carboxylatooctanoylamino)benzoate Traditional Name: 2-(4-carboxylatooctanoylamino)benzoate Formula: C16H19NO5-2 MolecularWeight: 305.32576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCC(=O)NC1=CC=CC=C1C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCCC(CCC(=O)NC1=CC=CC=C1C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C16H21NO5/c1-2-3-6-11(15(19)20)9-10-14(18)17-13-8-5-4-7-12(13)16(21)22/h4-5,7-8,11H,2-3,6,9-10H2,1H3,(H,17,18)(H,19,20)(H,21,22)/p-2