sodium 4-[3-[(4-pentoxyphenyl)carbonylamino]propanoylamino]butanoate

Systemtic Name: sodium 4-[3-[(4-pentoxyphenyl)carbonylamino]propanoylamino]butanoate Openeye Name: sodium 4-[3-[(4-pentoxybenzoyl)amino]propanoylamino]butanoate CAS Name: sodium 4-[[1-oxo-3-[[oxo-(4-pentoxyphenyl)methyl]amino]propyl]amino]butanoate IUPAC Name: sodium 4-[3-[(4-pentoxybenzoyl)amino]propanoylamino]butanoate Traditional Name: sodium 4-[3-[(4-amoxybenzoyl)amino]propanoylamino]butyrate Formula: C19H27N2NaO5 MolecularWeight: 386.41785

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)NCCC(=O)NCCCC(=O)[O-].[Na+]

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NCCC(=O)NCCCC(=O)[O-].[Na+]

InChI

InChI=1S/C19H28N2O5.Na/c1-2-3-4-14-26-16-9-7-15(8-10-16)19(25)21-13-11-17(22)20-12-5-6-18(23)24;/h7-10H,2-6,11-14H2,1H3,(H,20,22)(H,21,25)(H,23,24);/q;+1/p-1