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

Systemtic Name: 2-[(4-phenylazanyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]benzoic acid Openeye Name: 2-[[4-anilino-6-(1-piperidyl)-1,3,5-triazin-2-yl]oxy]benzoic acid CAS Name: 2-[[4-anilino-6-(1-piperidinyl)-1,3,5-triazin-2-yl]oxy]benzoic acid IUPAC Name: 2-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]benzoic acid Traditional Name: 2-[(4-anilino-6-piperidino-s-triazin-2-yl)oxy]benzoic acid Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC(=NC(=N2)OC3=CC=CC=C3C(=O)O)NC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C2=NC(=NC(=N2)OC3=CC=CC=C3C(=O)O)NC4=CC=CC=C4

InChI

InChI=1S/C21H21N5O3/c27-18(28)16-11-5-6-12-17(16)29-21-24-19(22-15-9-3-1-4-10-15)23-20(25-21)26-13-7-2-8-14-26/h1,3-6,9-12H,2,7-8,13-14H2,(H,27,28)(H,22,23,24,25)