sodium 2-[3-[[1,3-benzoxazol-2-yl(3-phenoxypropyl)amino]methyl]phenoxy]butanoate

Systemtic Name: sodium 2-[3-[[1,3-benzoxazol-2-yl(3-phenoxypropyl)amino]methyl]phenoxy]butanoate Openeye Name: sodium 2-[3-[[1,3-benzoxazol-2-yl(3-phenoxypropyl)amino]methyl]phenoxy]butanoate CAS Name: sodium 2-[3-[[1,3-benzoxazol-2-yl(3-phenoxypropyl)amino]methyl]phenoxy]butanoate IUPAC Name: sodium 2-[3-[[1,3-benzoxazol-2-yl(3-phenoxypropyl)amino]methyl]phenoxy]butanoate Traditional Name: sodium 2-[3-[[1,3-benzoxazol-2-yl(3-phenoxypropyl)amino]methyl]phenoxy]butyrate Formula: C27H27N2NaO5 MolecularWeight: 482.50345

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])OC1=CC=CC(=C1)CN(CCCOC2=CC=CC=C2)C3=NC4=CC=CC=C4O3.[Na+]

Isomeric SMILES

CCC(C(=O)[O-])OC1=CC=CC(=C1)CN(CCCOC2=CC=CC=C2)C3=NC4=CC=CC=C4O3.[Na+]

InChI

InChI=1S/C27H28N2O5.Na/c1-2-24(26(30)31)33-22-13-8-10-20(18-22)19-29(16-9-17-32-21-11-4-3-5-12-21)27-28-23-14-6-7-15-25(23)34-27;/h3-8,10-15,18,24H,2,9,16-17,19H2,1H3,(H,30,31);/q;+1/p-1