sodium 2-(decanoylamino)-3-phenyl-propanoic acid

Systemtic Name: sodium 2-(decanoylamino)-3-phenyl-propanoic acid Openeye Name: sodium 2-(decanoylamino)-3-phenyl-propanoic acid CAS Name: sodium 2-(1-oxodecylamino)-3-phenylpropanoic acid IUPAC Name: sodium 2-(decanoylamino)-3-phenylpropanoic acid Traditional Name: sodium 2-(caprylamino)-3-phenyl-propionic acid Formula: C19H29NNaO3+ MolecularWeight: 342.42823

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)NC(CC1=CC=CC=C1)C(=O)O.[Na+]

Isomeric SMILES

CCCCCCCCCC(=O)NC(CC1=CC=CC=C1)C(=O)O.[Na+]

InChI

InChI=1S/C19H29NO3.Na/c1-2-3-4-5-6-7-11-14-18(21)20-17(19(22)23)15-16-12-9-8-10-13-16;/h8-10,12-13,17H,2-7,11,14-15H2,1H3,(H,20,21)(H,22,23);/q;+1