(3-chloranyl-1-benzothiophen-2-yl)methyl 1-(4-fluorophenyl)carbonylpiperidine-3-carboxylate

Systemtic Name: (3-chloranyl-1-benzothiophen-2-yl)methyl 1-(4-fluorophenyl)carbonylpiperidine-3-carboxylate Openeye Name: (3-chlorobenzothiophen-2-yl)methyl 1-(4-fluorobenzoyl)piperidine-3-carboxylate CAS Name: 1-[(4-fluorophenyl)-oxomethyl]-3-piperidinecarboxylic acid (3-chloro-1-benzothiophen-2-yl)methyl ester IUPAC Name: (3-chloro-1-benzothiophen-2-yl)methyl 1-(4-fluorobenzoyl)piperidine-3-carboxylate Traditional Name: 1-(4-fluorobenzoyl)nipecotic acid (3-chlorobenzothiophen-2-yl)methyl ester Formula: C22H19ClFNO3S MolecularWeight: 431.907563

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)F)C(=O)OCC3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)F)C(=O)OCC3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C22H19ClFNO3S/c23-20-17-5-1-2-6-18(17)29-19(20)13-28-22(27)15-4-3-11-25(12-15)21(26)14-7-9-16(24)10-8-14/h1-2,5-10,15H,3-4,11-13H2