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

Systemtic Name: 1-[1-benzothiophen-2-yl(quinolin-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[benzothiophen-2-yl(2-quinolyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[1-benzothiophen-2-yl(2-quinolinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-2-yl(quinolin-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[benzothiophen-2-yl(2-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=NC3=CC=CC=C3C=C2)C4=CC5=CC=CC=C5S4

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=NC3=CC=CC=C3C=C2)C4=CC5=CC=CC=C5S4

InChI

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