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

Systemtic Name: 1-[1-benzothiophen-2-yl(quinolin-4-yl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[benzothiophen-2-yl(4-quinolyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[1-benzothiophen-2-yl(4-quinolinyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-2-yl(quinolin-4-yl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[benzothiophen-2-yl(4-quinolyl)methyl]pipecolinic acid Formula: C24H22N2O2S MolecularWeight: 402.50868

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(C2=CC=NC3=CC=CC=C23)C4=CC5=CC=CC=C5S4

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(C2=CC=NC3=CC=CC=C23)C4=CC5=CC=CC=C5S4

InChI

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