1-[1-benzothiophen-2-yl(quinolin-4-yl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[1-benzothiophen-2-yl(quinolin-4-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[benzothiophen-2-yl(4-quinolyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[1-benzothiophen-2-yl(4-quinolinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-2-yl(quinolin-4-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[benzothiophen-2-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=CC5=CC=CC=C5S4

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC=NC3=CC=CC=C23)C4=CC5=CC=CC=C5S4

InChI

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