5-[2-methoxy-4-[(nonanoylamino)methyl]phenoxy]-4-oxidanyl-pentanoic acid

Systemtic Name: 5-[2-methoxy-4-[(nonanoylamino)methyl]phenoxy]-4-oxidanyl-pentanoic acid Openeye Name: 4-hydroxy-5-[2-methoxy-4-[(nonanoylamino)methyl]phenoxy]pentanoic acid CAS Name: 4-hydroxy-5-[2-methoxy-4-[(1-oxononylamino)methyl]phenoxy]pentanoic acid IUPAC Name: 4-hydroxy-5-[2-methoxy-4-[(nonanoylamino)methyl]phenoxy]pentanoic acid Traditional Name: 4-hydroxy-5-[2-methoxy-4-[(pelargonylamino)methyl]phenoxy]valeric acid Formula: C22H35NO6 MolecularWeight: 409.5164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)NCC1=CC(=C(C=C1)OCC(CCC(=O)O)O)OC

Isomeric SMILES

CCCCCCCCC(=O)NCC1=CC(=C(C=C1)OCC(CCC(=O)O)O)OC

InChI

InChI=1S/C22H35NO6/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)