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

Systemtic Name: 3-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy]benzoic acid Openeye Name: 3-[[4,6-bis(1-piperidyl)-1,3,5-triazin-2-yl]oxy]benzoic acid CAS Name: 3-[[4,6-bis(1-piperidinyl)-1,3,5-triazin-2-yl]oxy]benzoic acid IUPAC Name: 3-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy]benzoic acid Traditional Name: 3-[(4,6-dipiperidino-s-triazin-2-yl)oxy]benzoic acid Formula: C20H25N5O3 MolecularWeight: 383.4442

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC(=NC(=N2)OC3=CC=CC(=C3)C(=O)O)N4CCCCC4

Isomeric SMILES

C1CCN(CC1)C2=NC(=NC(=N2)OC3=CC=CC(=C3)C(=O)O)N4CCCCC4

InChI

InChI=1S/C20H25N5O3/c26-17(27)15-8-7-9-16(14-15)28-20-22-18(24-10-3-1-4-11-24)21-19(23-20)25-12-5-2-6-13-25/h7-9,14H,1-6,10-13H2,(H,26,27)