sodium 6-[(3,4,5-trimethoxyphenyl)carbonylamino]hexanoic acid

Systemtic Name: sodium 6-[(3,4,5-trimethoxyphenyl)carbonylamino]hexanoic acid Openeye Name: sodium 6-[(3,4,5-trimethoxybenzoyl)amino]hexanoic acid CAS Name: sodium 6-[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]hexanoic acid IUPAC Name: sodium 6-[(3,4,5-trimethoxybenzoyl)amino]hexanoic acid Traditional Name: sodium 6-[(3,4,5-trimethoxybenzoyl)amino]hexanoic acid Formula: C16H23NNaO6+ MolecularWeight: 348.34669

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NCCCCCC(=O)O.[Na+]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NCCCCCC(=O)O.[Na+]

InChI

InChI=1S/C16H23NO6.Na/c1-21-12-9-11(10-13(22-2)15(12)23-3)16(20)17-8-6-4-5-7-14(18)19;/h9-10H,4-8H2,1-3H3,(H,17,20)(H,18,19);/q;+1