3-(4-carboxyoctanoylamino)benzoic acid

Systemtic Name: 3-(4-carboxyoctanoylamino)benzoic acid Openeye Name: 3-(4-carboxyoctanoylamino)benzoic acid CAS Name: 3-[(4-carboxy-1-oxooctyl)amino]benzoic acid IUPAC Name: 3-(4-carboxyoctanoylamino)benzoic acid Traditional Name: 3-(4-carboxyoctanoylamino)benzoic acid Formula: C16H21NO5 MolecularWeight: 307.34164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCC(=O)NC1=CC=CC(=C1)C(=O)O)C(=O)O

Isomeric SMILES

CCCCC(CCC(=O)NC1=CC=CC(=C1)C(=O)O)C(=O)O

InChI

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