3-[[(4S)-4-carboxylatoheptanoyl]amino]benzoate

Systemtic Name: 3-[[(4S)-4-carboxylatoheptanoyl]amino]benzoate Openeye Name: 3-[[(4S)-4-carboxylatoheptanoyl]amino]benzoate CAS Name: 3-[[(4S)-4-carboxylato-1-oxoheptyl]amino]benzoate IUPAC Name: 3-[[(4S)-4-carboxylatoheptanoyl]amino]benzoate Traditional Name: 3-[[(4S)-4-carboxylatoheptanoyl]amino]benzoate Formula: C15H17NO5-2 MolecularWeight: 291.29918

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC(=O)NC1=CC=CC(=C1)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCC[C@@H](CCC(=O)NC1=CC=CC(=C1)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C15H19NO5/c1-2-4-10(14(18)19)7-8-13(17)16-12-6-3-5-11(9-12)15(20)21/h3,5-6,9-10H,2,4,7-8H2,1H3,(H,16,17)(H,18,19)(H,20,21)/p-2/t10-/m0/s1