1-[1-benzothiophen-3-yl(quinolin-4-yl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[1-benzothiophen-3-yl(quinolin-4-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[benzothiophen-3-yl(4-quinolyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[1-benzothiophen-3-yl(4-quinolinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-3-yl(quinolin-4-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[benzothiophen-3-yl(4-quinolyl)methyl]isonipecotic acid Formula: C24H22N2O2S MolecularWeight: 402.50868

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CC=NC3=CC=CC=C23)C4=CSC5=CC=CC=C54

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC=NC3=CC=CC=C23)C4=CSC5=CC=CC=C54

InChI

InChI=1S/C24H22N2O2S/c27-24(28)16-10-13-26(14-11-16)23(20-15-29-22-8-4-2-6-18(20)22)19-9-12-25-21-7-3-1-5-17(19)21/h1-9,12,15-16,23H,10-11,13-14H2,(H,27,28)