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

Systemtic Name: 3-[(4-phenylazanyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]benzoic acid Openeye Name: 3-[[4-anilino-6-(1-piperidyl)-1,3,5-triazin-2-yl]oxy]benzoic acid CAS Name: 3-[[4-anilino-6-(1-piperidinyl)-1,3,5-triazin-2-yl]oxy]benzoic acid IUPAC Name: 3-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]benzoic acid Traditional Name: 3-[(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(=C3)C(=O)O)NC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C2=NC(=NC(=N2)OC3=CC=CC(=C3)C(=O)O)NC4=CC=CC=C4

InChI

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