sodium 2-[4-[(Z)-5-[(2-oxidanyl-3-phenoxy-propyl)amino]pent-2-en-3-yl]phenoxy]ethanoate

Systemtic Name: sodium 2-[4-[(Z)-5-[(2-oxidanyl-3-phenoxy-propyl)amino]pent-2-en-3-yl]phenoxy]ethanoate Openeye Name: sodium 2-[4-[(Z)-1-[2-[(2-hydroxy-3-phenoxy-propyl)amino]ethyl]prop-1-enyl]phenoxy]acetate CAS Name: sodium 2-[4-[(Z)-5-[(2-hydroxy-3-phenoxypropyl)amino]pent-2-en-3-yl]phenoxy]acetate IUPAC Name: sodium 2-[4-[(Z)-5-[(2-hydroxy-3-phenoxypropyl)amino]pent-2-en-3-yl]phenoxy]acetate Traditional Name: sodium 2-[4-[(Z)-1-[2-[(2-hydroxy-3-phenoxy-propyl)amino]ethyl]prop-1-enyl]phenoxy]acetate Formula: C22H26NNaO5 MolecularWeight: 407.43531

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(CCNCC(COC1=CC=CC=C1)O)C2=CC=C(C=C2)OCC(=O)[O-].[Na+]

Isomeric SMILES

C/C=C(/CCNCC(COC1=CC=CC=C1)O)\C2=CC=C(C=C2)OCC(=O)[O-].[Na+]

InChI

InChI=1S/C22H27NO5.Na/c1-2-17(18-8-10-21(11-9-18)28-16-22(25)26)12-13-23-14-19(24)15-27-20-6-4-3-5-7-20;/h2-11,19,23-24H,12-16H2,1H3,(H,25,26);/q;+1/p-1/b17-2-;