1-[1-[(3,5-diethoxy-4-fluoranyl-phenyl)methyl]piperidin-4-yl]benzotriazole-5-carboxylic acid

Systemtic Name: 1-[1-[(3,5-diethoxy-4-fluoranyl-phenyl)methyl]piperidin-4-yl]benzotriazole-5-carboxylic acid Openeye Name: 1-[1-[(3,5-diethoxy-4-fluoro-phenyl)methyl]-4-piperidyl]benzotriazole-5-carboxylic acid CAS Name: 1-[1-[(3,5-diethoxy-4-fluorophenyl)methyl]-4-piperidinyl]-5-benzotriazolecarboxylic acid IUPAC Name: 1-[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]benzotriazole-5-carboxylic acid Traditional Name: 1-[1-(3,5-diethoxy-4-fluoro-benzyl)-4-piperidyl]benzotriazole-5-carboxylic acid Formula: C23H27FN4O4 MolecularWeight: 442.483283

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1F)OCC)CN2CCC(CC2)N3C4=C(C=C(C=C4)C(=O)O)N=N3

Isomeric SMILES

CCOC1=CC(=CC(=C1F)OCC)CN2CCC(CC2)N3C4=C(C=C(C=C4)C(=O)O)N=N3

InChI

InChI=1S/C23H27FN4O4/c1-3-31-20-11-15(12-21(22(20)24)32-4-2)14-27-9-7-17(8-10-27)28-19-6-5-16(23(29)30)13-18(19)25-26-28/h5-6,11-13,17H,3-4,7-10,14H2,1-2H3,(H,29,30)