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

Systemtic Name: 3-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)oxy]benzoic acid Openeye Name: 3-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)oxy]benzoic acid CAS Name: 3-[[4,6-bis(1-pyrrolidinyl)-1,3,5-triazin-2-yl]oxy]benzoic acid IUPAC Name: 3-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)oxy]benzoic acid Traditional Name: 3-[(4,6-dipyrrolidino-s-triazin-2-yl)oxy]benzoic acid Formula: C18H21N5O3 MolecularWeight: 355.39104

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC(=NC(=N2)OC3=CC=CC(=C3)C(=O)O)N4CCCC4

Isomeric SMILES

C1CCN(C1)C2=NC(=NC(=N2)OC3=CC=CC(=C3)C(=O)O)N4CCCC4

InChI

InChI=1S/C18H21N5O3/c24-15(25)13-6-5-7-14(12-13)26-18-20-16(22-8-1-2-9-22)19-17(21-18)23-10-3-4-11-23/h5-7,12H,1-4,8-11H2,(H,24,25)