sodium 2-[[2-(2-butoxycarbonylcyclopenten-1-yl)phenyl]amino]ethanoic acid

Systemtic Name: sodium 2-[[2-(2-butoxycarbonylcyclopenten-1-yl)phenyl]amino]ethanoic acid Openeye Name: sodium 2-[2-(2-butoxycarbonylcyclopenten-1-yl)anilino]acetic acid CAS Name: sodium 2-[2-[2-[butoxy(oxo)methyl]-1-cyclopentenyl]anilino]acetic acid IUPAC Name: sodium 2-[2-(2-butoxycarbonylcyclopenten-1-yl)anilino]acetic acid Traditional Name: sodium 2-[2-(2-butoxycarbonylcyclopenten-1-yl)anilino]acetic acid Formula: C18H23NNaO4+ MolecularWeight: 340.36929

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(CCC1)C2=CC=CC=C2NCC(=O)O.[Na+]

Isomeric SMILES

CCCCOC(=O)C1=C(CCC1)C2=CC=CC=C2NCC(=O)O.[Na+]

InChI

InChI=1S/C18H23NO4.Na/c1-2-3-11-23-18(22)15-9-6-8-13(15)14-7-4-5-10-16(14)19-12-17(20)21;/h4-5,7,10,19H,2-3,6,8-9,11-12H2,1H3,(H,20,21);/q;+1