2-ethoxy-4-(5-fluoranyl-1H-indol-3-yl)-5-methyl-3-piperidin-1-yl-benzoic acid

Systemtic Name: 2-ethoxy-4-(5-fluoranyl-1H-indol-3-yl)-5-methyl-3-piperidin-1-yl-benzoic acid Openeye Name: 2-ethoxy-4-(5-fluoro-1H-indol-3-yl)-5-methyl-3-(1-piperidyl)benzoic acid CAS Name: 2-ethoxy-4-(5-fluoro-1H-indol-3-yl)-5-methyl-3-(1-piperidinyl)benzoic acid IUPAC Name: 2-ethoxy-4-(5-fluoro-1H-indol-3-yl)-5-methyl-3-piperidin-1-ylbenzoic acid Traditional Name: 2-ethoxy-4-(5-fluoro-1H-indol-3-yl)-5-methyl-3-piperidino-benzoic acid Formula: C23H25FN2O3 MolecularWeight: 396.454603

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=C(C=C1C(=O)O)C)C2=CNC3=C2C=C(C=C3)F)N4CCCCC4

Isomeric SMILES

CCOC1=C(C(=C(C=C1C(=O)O)C)C2=CNC3=C2C=C(C=C3)F)N4CCCCC4

InChI

InChI=1S/C23H25FN2O3/c1-3-29-22-17(23(27)28)11-14(2)20(21(22)26-9-5-4-6-10-26)18-13-25-19-8-7-15(24)12-16(18)19/h7-8,11-13,25H,3-6,9-10H2,1-2H3,(H,27,28)