sodium 2-[(5-octoxy-4-octoxycarbonyl-5-oxidanylidene-pentyl)-phenyl-amino]propanoate

Systemtic Name: sodium 2-[(5-octoxy-4-octoxycarbonyl-5-oxidanylidene-pentyl)-phenyl-amino]propanoate Openeye Name: sodium 2-(N-(5-octoxy-4-octoxycarbonyl-5-oxo-pentyl)anilino)propanoate CAS Name: sodium 2-(N-[5-octoxy-4-[octoxy(oxo)methyl]-5-oxopentyl]anilino)propanoate IUPAC Name: sodium 2-(N-(5-octoxy-4-octoxycarbonyl-5-oxopentyl)anilino)propanoate Traditional Name: sodium 2-(N-(5-keto-5-octoxy-4-octoxycarbonyl-pentyl)anilino)propionate Formula: C31H50NNaO6 MolecularWeight: 555.72157

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C(CCCN(C1=CC=CC=C1)C(C)C(=O)[O-])C(=O)OCCCCCCCC.[Na+]

Isomeric SMILES

CCCCCCCCOC(=O)C(CCCN(C1=CC=CC=C1)C(C)C(=O)[O-])C(=O)OCCCCCCCC.[Na+]

InChI

InChI=1S/C31H51NO6.Na/c1-4-6-8-10-12-17-24-37-30(35)28(31(36)38-25-18-13-11-9-7-5-2)22-19-23-32(26(3)29(33)34)27-20-15-14-16-21-27;/h14-16,20-21,26,28H,4-13,17-19,22-25H2,1-3H3,(H,33,34);/q;+1/p-1