1-[1-[(3-ethoxy-4-fluoranyl-phenyl)methyl]piperidin-4-yl]-2-oxidanylidene-3H-benzimidazole-5-carboxylic acid

Systemtic Name: 1-[1-[(3-ethoxy-4-fluoranyl-phenyl)methyl]piperidin-4-yl]-2-oxidanylidene-3H-benzimidazole-5-carboxylic acid Openeye Name: 1-[1-[(3-ethoxy-4-fluoro-phenyl)methyl]-4-piperidyl]-2-oxo-3H-benzimidazole-5-carboxylic acid CAS Name: 1-[1-[(3-ethoxy-4-fluorophenyl)methyl]-4-piperidinyl]-2-oxo-3H-benzimidazole-5-carboxylic acid IUPAC Name: 1-[1-[(3-ethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-2-oxo-3H-benzimidazole-5-carboxylic acid Traditional Name: 1-[1-(3-ethoxy-4-fluoro-benzyl)-4-piperidyl]-2-keto-3H-benzimidazole-5-carboxylic acid Formula: C22H24FN3O4 MolecularWeight: 413.442063

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CN2CCC(CC2)N3C4=C(C=C(C=C4)C(=O)O)NC3=O)F

Isomeric SMILES

CCOC1=C(C=CC(=C1)CN2CCC(CC2)N3C4=C(C=C(C=C4)C(=O)O)NC3=O)F

InChI

InChI=1S/C22H24FN3O4/c1-2-30-20-11-14(3-5-17(20)23)13-25-9-7-16(8-10-25)26-19-6-4-15(21(27)28)12-18(19)24-22(26)29/h3-6,11-12,16H,2,7-10,13H2,1H3,(H,24,29)(H,27,28)