sodium 5-[2-methoxy-4-[(nonanoylamino)methyl]phenoxy]-4-oxidanyl-pentanoate

Systemtic Name: sodium 5-[2-methoxy-4-[(nonanoylamino)methyl]phenoxy]-4-oxidanyl-pentanoate Openeye Name: sodium 4-hydroxy-5-[2-methoxy-4-[(nonanoylamino)methyl]phenoxy]pentanoate CAS Name: sodium 4-hydroxy-5-[2-methoxy-4-[(1-oxononylamino)methyl]phenoxy]pentanoate IUPAC Name: sodium 4-hydroxy-5-[2-methoxy-4-[(nonanoylamino)methyl]phenoxy]pentanoate Traditional Name: sodium 4-hydroxy-5-[2-methoxy-4-[(pelargonylamino)methyl]phenoxy]valerate Formula: C22H34NNaO6 MolecularWeight: 431.49823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)NCC1=CC(=C(C=C1)OCC(CCC(=O)[O-])O)OC.[Na+]

Isomeric SMILES

CCCCCCCCC(=O)NCC1=CC(=C(C=C1)OCC(CCC(=O)[O-])O)OC.[Na+]

InChI

InChI=1S/C22H35NO6.Na/c1-3-4-5-6-7-8-9-21(25)23-15-17-10-12-19(20(14-17)28-2)29-16-18(24)11-13-22(26)27;/h10,12,14,18,24H,3-9,11,13,15-16H2,1-2H3,(H,23,25)(H,26,27);/q;+1/p-1