3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzoic acid

Systemtic Name: 3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzoic acid Openeye Name: 3-[(4,6-dimorpholino-1,3,5-triazin-2-yl)oxy]benzoic acid CAS Name: 3-[[4,6-bis(4-morpholinyl)-1,3,5-triazin-2-yl]oxy]benzoic acid IUPAC Name: 3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzoic acid Traditional Name: 3-[(4,6-dimorpholino-s-triazin-2-yl)oxy]benzoic acid Formula: C18H21N5O5 MolecularWeight: 387.38984

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC(=NC(=N2)OC3=CC=CC(=C3)C(=O)O)N4CCOCC4

Isomeric SMILES

C1COCCN1C2=NC(=NC(=N2)OC3=CC=CC(=C3)C(=O)O)N4CCOCC4

InChI

InChI=1S/C18H21N5O5/c24-15(25)13-2-1-3-14(12-13)28-18-20-16(22-4-8-26-9-5-22)19-17(21-18)23-6-10-27-11-7-23/h1-3,12H,4-11H2,(H,24,25)