1-[[3-fluoranyl-4-[6-(1-piperidin-1-ylcyclopropyl)-1-benzothiophen-2-yl]phenyl]methyl]azetidine-3-carboxylic acid

Systemtic Name: 1-[[3-fluoranyl-4-[6-(1-piperidin-1-ylcyclopropyl)-1-benzothiophen-2-yl]phenyl]methyl]azetidine-3-carboxylic acid Openeye Name: 1-[[3-fluoro-4-[6-[1-(1-piperidyl)cyclopropyl]benzothiophen-2-yl]phenyl]methyl]azetidine-3-carboxylic acid CAS Name: 1-[[3-fluoro-4-[6-[1-(1-piperidinyl)cyclopropyl]-1-benzothiophen-2-yl]phenyl]methyl]-3-azetidinecarboxylic acid IUPAC Name: 1-[[3-fluoro-4-[6-(1-piperidin-1-ylcyclopropyl)-1-benzothiophen-2-yl]phenyl]methyl]azetidine-3-carboxylic acid Traditional Name: 1-[3-fluoro-4-[6-(1-piperidinocyclopropyl)benzothiophen-2-yl]benzyl]azetidine-3-carboxylic acid Formula: C27H29FN2O2S MolecularWeight: 464.594763

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2(CC2)C3=CC4=C(C=C3)C=C(S4)C5=C(C=C(C=C5)CN6CC(C6)C(=O)O)F

Isomeric SMILES

C1CCN(CC1)C2(CC2)C3=CC4=C(C=C3)C=C(S4)C5=C(C=C(C=C5)CN6CC(C6)C(=O)O)F

InChI

InChI=1S/C27H29FN2O2S/c28-23-12-18(15-29-16-20(17-29)26(31)32)4-7-22(23)25-13-19-5-6-21(14-24(19)33-25)27(8-9-27)30-10-2-1-3-11-30/h4-7,12-14,20H,1-3,8-11,15-17H2,(H,31,32)